data_2m2n_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 2m2n _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.4 tt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.28 -28.45 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.398 1.479 . . . . 0.0 111.977 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.39 -15.01 62.35 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.613 1.165 . . . . 0.0 113.073 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -119.18 -46.91 2.5 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.605 1.162 . . . . 0.0 111.645 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -100.95 3.27 41.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -164.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.93 -21.24 13.66 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 158.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -93.78 -31.58 14.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.402 1.881 . . . . 0.0 112.476 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -143.83 -158.78 0.91 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.229 2.212 . . . . 0.0 110.076 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.53 126.36 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 124.57 1.148 . . . . 0.0 111.884 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 134.77 34.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.266 0.626 . . . . 0.0 109.605 159.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 162.32 23.36 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.492 1.117 . . . . 0.0 110.282 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -46.77 -43.67 18.38 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -72.87 -23.43 60.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -86.57 -43.51 12.63 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.259 1.024 . . . . 0.0 110.218 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.51 -36.85 69.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.614 1.565 . . . . 0.0 112.634 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.26 -27.5 67.29 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.67 -19.82 65.21 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.157 -0.964 . . . . 0.0 113.554 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -104.76 4.67 32.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.727 1.211 . . . . 0.0 112.025 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.08 146.39 53.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.051 0.94 . . . . 0.0 110.27 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.163 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.59 144.65 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.078 1.751 . . . . 0.0 108.982 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -53.36 121.63 8.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.07 1.348 . . . . 0.0 111.931 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -164.73 178.14 7.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.922 1.689 . . . . 0.0 110.243 -172.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.81 71.74 1.5 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.248 1.019 . . . . 0.0 111.952 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.64 167.2 2.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.277 1.831 . . . . 0.0 111.721 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.9 t -177.41 153.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.801 2.44 . . . . 0.0 110.208 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.61 -123.69 34.05 Favored Glycine 0 N--CA 1.469 0.883 0 C-N-CA 124.046 0.832 . . . . 0.0 113.318 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -54.42 -48.96 71.04 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.71 1.204 . . . . 0.0 112.584 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -35.64 72.39 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.619 -1.301 . . . . 0.0 112.47 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -43.49 67.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.296 1.038 . . . . 0.0 110.501 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.14 -43.0 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 0.0 111.856 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.82 -46.07 86.75 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.827 1.251 . . . . 0.0 111.184 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.32 78.02 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.008 0.923 . . . . 0.0 111.354 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.34 -44.54 80.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.05 -42.25 99.68 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.636 0.653 . . . . 0.0 112.413 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.1 -32.38 71.75 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.393 -0.817 . . . . 0.0 112.654 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.64 -56.48 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.343 1.057 . . . . 0.0 111.571 172.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -74.25 -26.07 60.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.651 1.18 . . . . 0.0 113.957 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.86 -161.6 38.37 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.785 1.659 . . . . 0.0 113.087 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.05 -16.79 20.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.626 1.571 . . . . 0.0 113.662 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -49.25 -46.37 45.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.457 1.903 . . . . 0.0 113.664 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 169.89 46.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.052 0.834 . . . . 0.0 113.571 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -144.05 162.51 36.04 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.73 1.612 . . . . 0.0 112.661 -172.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -88.29 -19.52 26.64 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -79.5 104.76 10.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.542 1.064 . . . . 0.0 111.085 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -135.85 100.0 11.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.54 1.136 . . . . 0.0 108.314 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo . . . . . 0 C--N 1.351 0.702 0 C-N-CA 123.91 3.073 . . . . 0.0 112.198 -170.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -28.24 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.165 0.986 . . . . 0.0 111.796 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -78.46 -46.28 20.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.523 0.729 . . . . 0.0 110.791 169.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -159.27 120.35 3.25 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.274 1.03 . . . . 0.0 111.519 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.29 117.01 27.93 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 128.212 2.605 . . . . 0.0 114.287 -10.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.66 134.82 34.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.112 1.765 . . . . 0.0 107.398 155.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m 65.83 47.26 2.1 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.302 1.841 . . . . 0.0 108.901 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -154.68 157.95 38.88 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.047 1.739 . . . . 0.0 109.775 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.51 -34.15 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.145 0.978 . . . . 0.0 112.511 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.9 t 51.01 63.73 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.336 1.454 . . . . 0.0 113.108 162.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -70.66 163.59 26.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.26 -42.68 31.26 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.86 1.664 . . . . 0.0 115.485 -173.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -72.02 -23.71 61.44 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.439 -0.788 . . . . 0.0 113.052 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -85.78 -39.49 17.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.389 1.076 . . . . 0.0 110.737 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.06 -35.64 71.64 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.561 1.144 . . . . 0.0 112.798 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.1 -26.06 65.92 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.14 -21.32 66.12 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.11 -0.994 . . . . 0.0 113.602 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.6 9.17 31.47 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.098 1.359 . . . . 0.0 112.132 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.73 149.6 38.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.065 0.946 . . . . 0.0 111.74 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.156 0.982 . . . . 0.0 111.583 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.5 p90 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.61 150.47 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.319 1.847 . . . . 0.0 109.095 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -57.97 112.37 1.48 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.76 0.791 . . . . 0.0 111.165 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -174.11 153.51 2.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.605 1.962 . . . . 0.0 107.186 -161.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -65.75 104.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.312 0.96 . . . . 0.0 112.242 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.7 139.62 30.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.563 1.145 . . . . 0.0 111.104 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -164.09 147.24 9.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 109.916 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.06 31.01 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 118.638 0.653 . . . . 0.0 112.108 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -52.93 -53.3 51.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.537 1.135 . . . . 0.0 112.811 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -47.61 -44.75 26.87 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.236 1.414 . . . . 0.0 113.117 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.6 -43.09 66.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.56 1.144 . . . . 0.0 111.36 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.92 -45.42 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.236 1.014 . . . . 0.0 111.965 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.48 -45.21 94.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.449 1.099 . . . . 0.0 111.083 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.58 74.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.754 0.822 . . . . 0.0 111.978 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.87 -44.22 77.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.815 0.846 . . . . 0.0 112.142 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' B' ' 21' ' ' GLU . 48.2 t80 -62.97 -38.55 91.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.888 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.43 -45.47 69.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.852 0.861 . . . . 0.0 112.185 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.55 -50.23 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.286 1.034 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.3 t -68.45 -20.04 64.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.926 0.89 . . . . 0.0 112.835 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.75 4.04 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.819 1.2 . . . . 0.0 113.112 162.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.416 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 31.0 mt-10 76.26 -3.31 2.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.318 2.247 . . . . 0.0 113.299 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -95.91 -13.29 24.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.124 2.17 . . . . 0.0 113.804 -173.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 162.64 27.17 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 125.627 1.584 . . . . 0.0 111.466 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -167.8 169.38 11.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 130.574 3.55 . . . . 0.0 110.738 3.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -76.6 -17.42 59.21 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -83.24 85.2 7.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.116 0.871 . . . . 0.0 111.651 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.1 p -114.44 86.54 12.46 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.291 1.036 . . . . 0.0 109.563 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 C--N 1.353 0.786 0 C-N-CA 124.288 3.326 . . . . 0.0 111.99 -176.509 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.95 -27.29 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.368 -0.832 . . . . 0.0 112.651 -168.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.02 -15.13 63.53 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -94.8 -57.69 2.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.206 1.002 . . . . 0.0 109.795 173.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.79 -24.15 64.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.67 87.98 2.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.94 1.296 . . . . 0.0 110.042 168.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.5 p -117.8 117.78 30.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 129.72 3.208 . . . . 0.0 111.722 4.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -162.33 164.83 27.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.736 2.014 . . . . 0.0 110.48 168.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.77 -25.38 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -163.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m 26.2 75.92 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.526 2.33 . . . . 0.0 115.08 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -77.04 170.03 17.27 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.14 -43.83 31.64 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -73.05 -22.52 60.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -83.02 -44.77 14.84 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.284 1.433 . . . . 0.0 109.66 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.2 -32.08 72.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.456 1.502 . . . . 0.0 113.58 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.73 -26.07 65.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.311 0.644 . . . . 0.0 112.718 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -63.5 -17.19 62.5 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.73 7.48 28.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.023 1.329 . . . . 0.0 112.611 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.08 139.92 48.68 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.856 1.263 . . . . 0.0 111.299 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 121.549 -0.719 . . . . 0.0 111.489 176.186 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.7 t 74.39 141.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 128.201 2.6 . . . . 0.0 111.653 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.24 109.85 4.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.05 0.94 . . . . 0.0 110.097 173.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -165.37 175.09 9.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.368 1.867 . . . . 0.0 109.7 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.81 128.53 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.261 -0.899 . . . . 0.0 111.433 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 tt -146.51 102.5 3.58 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.116 0.96 . . . . 0.0 110.799 -145.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -121.54 142.85 49.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.34 1.456 . . . . 0.0 112.264 -166.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -115.17 5.35 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 124.531 1.062 . . . . 0.0 114.109 163.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -53.01 -48.01 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.989 0.916 . . . . 0.0 112.097 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -56.94 -38.75 73.35 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.942 -1.099 . . . . 0.0 112.335 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.24 -43.56 81.64 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.889 0.876 . . . . 0.0 111.692 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.42 -46.16 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.431 1.014 . . . . 0.0 111.726 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -61.15 -46.41 90.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.795 1.238 . . . . 0.0 110.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.44 66.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.753 1.221 . . . . 0.0 111.996 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -56.04 -42.1 76.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.24 0.616 . . . . 0.0 111.583 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.4 -42.61 92.42 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.35 -36.14 82.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.73 -53.83 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.157 0.983 . . . . 0.0 111.249 174.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -76.79 -30.04 56.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -171.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.11 -161.4 41.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.047 1.308 . . . . 0.0 112.587 -172.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.4 -11.11 9.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.1 -31.67 71.35 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.15 1.38 . . . . 0.0 112.794 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.58 -171.46 53.22 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.814 1.197 . . . . 0.0 113.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -145.85 155.15 42.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.407 1.083 . . . . 0.0 112.58 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.62 -9.79 59.58 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.73 -39.13 90.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.7 p -19.86 99.04 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.378 2.671 . . . . 0.0 113.864 -167.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo . . . . . 0 C--N 1.353 0.777 0 C-N-CA 123.653 2.902 . . . . 0.0 111.696 -164.779 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -73.18 -20.77 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.564 0.745 . . . . 0.0 112.954 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.73 -17.37 59.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.037 0.935 . . . . 0.0 111.791 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -106.51 -61.46 1.52 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.558 1.543 . . . . 0.0 109.821 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -66.01 -32.19 73.52 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -77.14 -14.18 59.83 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.846 -1.159 . . . . 0.0 112.367 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 m -104.55 -33.25 8.6 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.705 2.002 . . . . 0.0 111.974 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -144.73 160.56 41.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.808 1.643 . . . . 0.0 111.827 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.8 131.62 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.91 -1.119 . . . . 0.0 110.146 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.21 161.06 35.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.099 0.96 . . . . 0.0 112.555 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -147.55 171.27 15.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.268 1.027 . . . . 0.0 112.654 -163.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.22 -44.18 10.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.486 1.914 . . . . 0.0 115.645 -173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.34 -22.84 61.11 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -86.47 -42.31 13.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.315 1.046 . . . . 0.0 109.971 170.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.6 -32.45 72.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.827 1.251 . . . . 0.0 113.414 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.19 -25.66 64.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.96 0.904 . . . . 0.0 112.921 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.96 -16.67 62.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -109.56 8.35 25.03 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.226 1.41 . . . . 0.0 112.462 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.91 142.66 38.27 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.047 1.339 . . . . 0.0 111.718 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 123.844 0.858 . . . . 0.0 112.251 176.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 CA--C 1.55 0.961 0 CA-C-O 121.49 0.662 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 137.54 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.039 0.936 . . . . 0.0 108.653 162.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -51.7 128.04 22.34 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.26 178.26 2.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.487 2.315 . . . . 0.0 109.192 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.13 68.67 5.16 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.202 1.001 . . . . 0.0 111.923 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -43.52 117.46 1.14 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.434 2.294 . . . . 0.0 112.779 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -135.14 -142.58 0.19 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.978 0.911 . . . . 0.0 110.5 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.38 130.41 9.84 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-N 119.809 1.186 . . . . 0.0 111.181 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -88.34 -7.28 56.94 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.029 2.932 . . . . 0.0 113.926 -3.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -41.94 -40.91 2.32 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.28 2.232 . . . . 0.0 114.974 -170.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.29 -38.26 76.65 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.75 1.22 . . . . 0.0 113.195 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.62 -39.89 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.954 0.797 . . . . 0.0 110.018 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.57 -48.26 75.66 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.86 1.264 . . . . 0.0 110.648 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.49 70.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.81 1.244 . . . . 0.0 112.06 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.01 -39.16 84.83 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.656 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.05 -43.48 98.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.14 0.882 . . . . 0.0 112.474 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -70.13 -34.02 72.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.955 0.798 . . . . 0.0 112.616 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.69 -54.68 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.46 1.104 . . . . 0.0 111.201 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -79.92 -35.45 37.81 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -168.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -169.26 27.86 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.646 1.593 . . . . 0.0 113.833 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.67 -14.41 51.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.52 1.528 . . . . 0.0 114.598 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -66.65 -13.35 61.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.123 1.369 . . . . 0.0 114.239 171.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.11 -167.8 54.47 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.812 1.196 . . . . 0.0 113.922 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -151.77 153.49 34.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.001 1.321 . . . . 0.0 112.285 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -81.91 -10.81 59.17 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.32 -34.29 77.79 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 p -23.68 102.82 0.1 OUTLIER Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 128.049 2.54 . . . . 0.0 113.551 -167.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 C--N 1.353 0.787 0 C-N-CA 123.508 2.805 . . . . 0.0 112.369 -161.164 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.7 t -67.31 -36.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.597 0.759 . . . . 0.0 109.958 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.61 -3.97 7.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.908 1.683 . . . . 0.0 113.563 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -119.27 -60.11 1.77 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.871 1.268 . . . . 0.0 110.537 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 m -74.5 -29.26 61.35 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.06 -22.32 42.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.489 -0.757 . . . . 0.0 112.294 171.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -89.95 -38.13 13.88 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.356 1.863 . . . . 0.0 112.423 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -148.5 -169.73 3.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.25 126.29 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.62 1.168 . . . . 0.0 111.394 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -103.52 144.28 31.61 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.413 1.885 . . . . 0.0 110.914 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -153.26 152.1 30.79 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.9 0.88 . . . . 0.0 112.015 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.94 -43.89 60.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -73.54 -22.34 60.12 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.78 -45.08 13.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.513 1.125 . . . . 0.0 109.784 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -55.75 -35.82 66.61 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.994 1.718 . . . . 0.0 113.198 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.18 -26.64 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -64.39 -16.98 63.31 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -109.19 9.84 25.95 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.32 1.448 . . . . 0.0 111.727 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.19 155.35 36.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.735 0.814 . . . . 0.0 110.911 166.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--O 1.24 0.605 0 O-C-N 121.34 -0.85 . . . . 0.0 112.176 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t 65.3 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.935 2.094 . . . . 0.0 110.574 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.23 110.82 5.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.125 1.77 . . . . 0.0 109.174 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -167.24 169.49 12.5 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.85 1.26 . . . . 0.0 111.323 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -66.08 133.62 51.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 110.635 169.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -151.75 120.49 6.55 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.474 -0.766 . . . . 0.0 110.755 -160.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -155.06 146.31 22.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.21 -0.932 . . . . 0.0 113.049 -166.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -127.09 29.74 Favored Glycine 0 N--CA 1.471 1.017 0 C-N-CA 124.181 0.895 . . . . 0.0 112.294 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.27 -48.29 68.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.096 0.958 . . . . 0.0 112.177 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -55.22 -36.69 66.25 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.959 -1.088 . . . . 0.0 112.969 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.46 -37.51 60.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.03 0.932 . . . . 0.0 112.021 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.12 -45.92 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.821 0.848 . . . . 0.0 111.297 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.98 -44.06 97.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.003 1.321 . . . . 0.0 111.189 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -48.87 70.84 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.008 0.923 . . . . 0.0 112.453 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.28 -41.32 84.11 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.354 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.17 -41.41 96.73 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.783 0.72 . . . . 0.0 112.253 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.88 -42.96 89.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.731 0.812 . . . . 0.0 112.136 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.16 -50.44 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.648 1.179 . . . . 0.0 111.686 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -78.34 -33.72 48.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.948 1.299 . . . . 0.0 114.051 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.52 -171.04 27.43 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.201 1.381 . . . . 0.0 112.648 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -83.09 35.3 0.48 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.518 1.527 . . . . 0.0 113.392 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -64.89 -53.14 51.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.735 1.214 . . . . 0.0 114.22 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.53 168.43 21.73 Favored Glycine 0 N--CA 1.475 1.273 1 C-N-CA 131.249 4.261 . . . . 0.0 112.368 -9.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -59.77 160.78 7.04 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -86.7 -9.37 56.1 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.51 -39.32 93.56 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -20.93 100.13 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.304 0 C-N-CA 128.414 2.685 . . . . 0.0 113.727 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.354 0.863 0 C-N-CA 123.453 2.769 . . . . 0.0 113.795 -162.184 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.1 -20.38 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 118.943 0.792 . . . . 0.0 112.522 -168.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.12 -21.55 66.81 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.806 1.242 . . . . 0.0 112.595 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.1 -57.87 2.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.751 0.705 . . . . 0.0 109.259 159.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.7 m -77.92 47.6 0.65 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.049 1.34 . . . . 0.0 114.568 -170.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -155.8 -34.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 158.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -73.23 -36.87 66.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.423 2.289 . . . . 0.0 112.745 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -151.26 179.63 8.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.08 1.352 . . . . 0.0 112.246 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.81 134.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.788 1.235 . . . . 0.0 112.045 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.3 m -119.97 156.46 30.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.815 1.246 . . . . 0.0 111.187 160.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -146.78 155.49 42.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.78 1.232 . . . . 0.0 110.119 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.39 -43.05 61.81 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -73.55 -23.81 60.03 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.39 -44.34 16.23 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.852 1.261 . . . . 0.0 109.629 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.51 -29.75 70.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.271 1.429 . . . . 0.0 113.175 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 28.6 tt0 -58.71 -26.98 64.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -63.94 -16.25 61.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.48 5.84 29.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 112.818 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 83.9 m -72.09 149.66 44.6 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.448 -0.782 . . . . 0.0 112.166 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.566 0.746 . . . . 0.0 111.782 176.5 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.24 151.24 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.179 1.392 . . . . 0.0 109.508 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -46.74 121.99 3.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.439 1.496 . . . . 0.0 111.833 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.43 172.66 16.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.981 1.312 . . . . 0.0 110.737 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.62 -34.49 69.87 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt 58.14 -167.6 0.14 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.076 1.75 . . . . 0.0 111.033 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t 179.31 -168.16 0.09 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 129.384 3.074 . . . . 0.0 109.052 165.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.84 134.95 13.9 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.827 -1.171 . . . . 0.0 110.663 165.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m -87.52 -9.65 53.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.84 2.856 . . . . 0.0 114.342 -0.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -42.32 -38.54 1.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.382 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.82 -32.87 71.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.389 1.876 . . . . 0.0 113.332 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.95 -40.42 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.195 0.998 . . . . 0.0 110.585 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.96 -43.91 74.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.148 . . . . 0.0 110.671 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.46 64.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.402 1.081 . . . . 0.0 111.087 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 mt -55.02 -48.09 73.84 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.802 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -57.72 -41.51 81.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.144 1.338 . . . . 0.0 113.046 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.82 -31.01 68.67 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.353 -0.842 . . . . 0.0 112.607 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.85 -55.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.665 1.186 . . . . 0.0 111.203 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -76.17 -23.94 54.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.625 1.97 . . . . 0.0 114.782 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -163.83 54.66 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.532 1.063 . . . . 0.0 112.618 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -7.96 15.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -63.04 -31.93 73.18 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.098 0.959 . . . . 0.0 111.953 167.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.34 -166.29 53.53 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.214 1.387 . . . . 0.0 114.295 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -149.95 159.66 44.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.41 1.884 . . . . 0.0 111.911 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -89.2 -8.35 53.75 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.54 -38.97 93.14 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -15.83 95.48 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.289 0 C-N-CA 129.0 2.92 . . . . 0.0 113.742 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.353 0.772 0 C-N-CA 123.746 2.964 . . . . 0.0 112.32 -163.458 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.4 -0.59 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.635 -1.291 . . . . 0.0 113.196 171.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -118.94 -67.07 1.01 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.062 1.745 . . . . 0.0 109.708 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.0 125.22 24.23 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.405 -0.81 . . . . 0.0 109.556 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.3 m 75.58 -15.48 0.68 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.998 2.119 . . . . 0.0 114.062 -172.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -63.62 1.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.796 1.238 . . . . 0.0 110.862 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -99.42 15.86 25.02 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.352 1.861 . . . . 0.0 112.66 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -148.54 168.24 23.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.802 1.641 . . . . 0.0 110.234 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -85.78 134.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.363 1.065 . . . . 0.0 111.608 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.2 m -137.93 156.16 48.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.821 1.248 . . . . 0.0 113.118 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 m -115.45 178.67 4.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.236 1.814 . . . . 0.0 111.96 169.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -50.42 -42.72 54.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.53 1.532 . . . . 0.0 115.049 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -72.61 -22.89 60.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.79 -45.15 15.99 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.755 1.222 . . . . 0.0 109.499 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.5 -32.26 72.28 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 113.136 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.39 -25.65 64.46 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -63.15 -16.39 59.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -106.75 6.68 29.85 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.848 1.259 . . . . 0.0 112.318 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -75.71 167.16 22.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.614 0.766 . . . . 0.0 112.44 172.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.301 1.041 . . . . 0.0 112.66 179.664 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.89 157.6 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.693 1.597 . . . . 0.0 111.313 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -57.11 130.17 44.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.999 1.32 . . . . 0.0 113.368 -174.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -177.0 179.48 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.087 2.555 . . . . 0.0 109.018 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -76.03 61.56 1.54 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.55 1.14 . . . . 0.0 111.302 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.22 103.26 3.88 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.412 2.285 . . . . 0.0 109.554 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -136.27 -107.7 0.2 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -158.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.31 111.78 4.32 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.179 1.371 . . . . 0.0 112.716 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -111.59 95.42 5.49 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.006 2.922 . . . . 0.0 109.737 -11.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -138.2 -37.76 0.56 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.778 2.031 . . . . 0.0 111.628 -171.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.5 -38.12 88.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.537 1.135 . . . . 0.0 110.887 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.04 -40.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.002 1.321 . . . . 0.0 111.59 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.55 -40.62 69.9 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.408 1.083 . . . . 0.0 111.163 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.24 76.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.499 1.12 . . . . 0.0 111.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -55.19 -50.29 69.72 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.694 0.798 . . . . 0.0 110.617 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -55.37 -39.51 70.18 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.432 1.014 . . . . 0.0 113.159 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.47 -40.28 77.2 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.689 0.795 . . . . 0.0 112.81 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.29 -56.61 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.123 1.369 . . . . 0.0 111.389 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.69 -32.0 72.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.622 1.969 . . . . 0.0 112.844 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.89 -47.3 3.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.671 1.605 . . . . 0.0 114.701 167.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -136.62 157.4 46.86 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.124 1.769 . . . . 0.0 110.272 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 65.92 165.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.718 2.407 . . . . 0.0 113.412 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.82 112.01 3.88 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -61.13 158.88 12.9 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.979 0.911 . . . . 0.0 112.434 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -72.54 -17.12 61.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.06 80.93 9.01 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.947 0.88 . . . . 0.0 112.086 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -113.68 87.03 11.4 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 124.968 1.307 . . . . 0.0 109.014 171.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 C--N 1.353 0.791 0 C-N-CA 123.92 3.08 . . . . 0.0 112.159 -173.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.85 -19.86 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.141 1.376 . . . . 0.0 112.777 -175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -82.95 -6.61 59.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.31 1.444 . . . . 0.0 113.192 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.85 -41.46 0.4 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -174.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -78.65 -15.36 58.59 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.749 -1.219 . . . . 0.0 113.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.2 m -80.98 -23.16 38.93 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.133 0.973 . . . . 0.0 113.545 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.4 p -111.34 -20.24 12.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.265 1.426 . . . . 0.0 113.677 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -139.92 -179.83 6.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.989 1.316 . . . . 0.0 112.451 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -62.14 133.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.68 1.192 . . . . 0.0 110.173 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 m -125.93 159.14 33.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.245 1.021 . . . . 0.0 111.751 162.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 m -167.65 168.84 12.34 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.941 2.096 . . . . 0.0 108.872 -165.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.28 -49.46 3.68 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -69.47 -22.35 63.63 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -86.36 -44.9 11.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.791 1.236 . . . . 0.0 109.763 170.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.55 -30.5 69.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.427 1.491 . . . . 0.0 113.642 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.98 -27.18 66.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.49 1.116 . . . . 0.0 112.763 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -62.91 -18.34 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -107.44 4.7 26.53 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.055 1.342 . . . . 0.0 112.476 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.24 138.93 47.83 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.472 0.67 0 O-C-N 121.496 -0.753 . . . . 0.0 111.72 178.184 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t 79.75 148.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.503 2.721 . . . . 0.0 112.2 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.41 91.62 0.41 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.418 1.487 . . . . 0.0 109.952 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -155.53 178.18 10.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.228 1.011 . . . . 0.0 112.004 -172.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -71.16 125.52 27.15 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.796 0.838 . . . . 0.0 110.316 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -97.39 -164.31 1.13 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.937 1.295 . . . . 0.0 109.336 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 156.47 158.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 131.672 3.989 . . . . 0.0 111.002 163.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.54 -121.71 26.91 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.036 0.826 . . . . 0.0 113.13 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -71.33 -32.97 69.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.457 1.103 . . . . 0.0 113.224 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -55.43 -35.27 65.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.743 1.217 . . . . 0.0 112.027 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.51 -41.84 90.86 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.561 1.144 . . . . 0.0 111.998 173.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.49 -43.48 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.403 0.681 . . . . 0.0 110.246 -171.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -37.61 75.66 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.305 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -53.0 62.31 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.307 0.958 . . . . 0.0 111.191 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.12 -43.85 74.49 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 111.976 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -64.16 -43.4 95.28 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.599 0.636 . . . . 0.0 112.67 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.87 -37.04 85.93 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.466 1.03 . . . . 0.0 112.317 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.27 -53.98 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 0.0 111.531 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 t -77.6 -29.48 51.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -171.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.54 -157.3 43.96 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.686 1.612 . . . . 0.0 112.66 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.88 -8.68 16.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.101 1.36 . . . . 0.0 114.364 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -30.28 69.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.953 1.301 . . . . 0.0 112.479 171.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.37 -176.25 45.04 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.729 1.157 . . . . 0.0 113.301 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -147.64 157.1 43.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.283 1.033 . . . . 0.0 112.376 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -82.02 -16.69 49.38 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -80.54 91.92 5.85 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.362 -0.836 . . . . 0.0 111.026 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -118.71 89.5 37.79 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.47 1.108 . . . . 0.0 109.297 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.352 0.757 0 C-N-CA 124.723 3.615 . . . . 0.0 112.01 -173.31 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.74 -29.96 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.916 0.78 . . . . 0.0 112.596 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.15 -16.4 63.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.15 -55.3 2.81 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.585 1.154 . . . . 0.0 109.774 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.29 -30.36 70.2 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.55 -9.74 58.84 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.813 -1.18 . . . . 0.0 112.947 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 m -113.69 -33.6 5.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.725 2.01 . . . . 0.0 112.335 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -143.52 173.08 11.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.185 1.794 . . . . 0.0 112.021 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.46 123.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.946 -1.096 . . . . 0.0 111.663 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 m -108.16 149.33 28.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.311 1.044 . . . . 0.0 111.542 163.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -153.75 159.72 42.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.478 1.511 . . . . 0.0 110.102 -161.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.28 -44.31 33.56 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -73.24 -23.11 60.3 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -82.94 -47.18 12.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.688 1.195 . . . . 0.0 109.404 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.5 -32.31 71.32 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.922 1.689 . . . . 0.0 113.353 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.69 -27.0 66.03 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.529 0.732 . . . . 0.0 112.936 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -64.27 -17.93 64.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.26 8.32 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.081 1.352 . . . . 0.0 112.455 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.85 136.78 47.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.767 1.227 . . . . 0.0 111.424 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.499 -0.751 . . . . 0.0 111.864 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.53 155.57 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.857 1.663 . . . . 0.0 110.827 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -53.55 119.72 5.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.781 1.632 . . . . 0.0 112.092 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.54 -178.37 4.39 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.216 1.407 . . . . 0.0 111.288 -172.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -79.01 57.0 2.08 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.452 1.501 . . . . 0.0 112.237 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -55.76 132.9 50.45 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.242 1.817 . . . . 0.0 112.252 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.6 t -155.51 133.66 11.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.36 -0.837 . . . . 0.0 112.134 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.69 -124.42 26.58 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 123.666 0.65 . . . . 0.0 112.206 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -56.0 -40.64 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.791 1.236 . . . . 0.0 112.991 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -56.45 -42.91 78.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.452 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -43.87 77.52 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.72 . . . . 0.0 110.58 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.82 -49.29 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.778 0.831 . . . . 0.0 112.077 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.68 -35.04 76.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.556 0.616 . . . . 0.0 111.882 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.68 -50.53 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.653 0.781 . . . . 0.0 111.782 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -55.16 -42.66 73.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.09 0.556 . . . . 0.0 111.492 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -65.4 -42.27 92.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.73 -35.46 80.16 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.797 1.181 . . . . 0.0 112.42 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.19 -54.85 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.921 0.888 . . . . 0.0 111.216 173.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.05 -27.1 48.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -157.93 43.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.267 1.413 . . . . 0.0 112.756 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.14 -10.74 6.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -56.9 -33.62 67.08 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.493 1.517 . . . . 0.0 113.112 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 -170.33 50.23 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.482 1.039 . . . . 0.0 113.085 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -149.99 154.55 38.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.279 1.032 . . . . 0.0 112.732 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -82.23 -9.97 59.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 114.049 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.29 -37.79 88.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -20.27 100.47 0.06 OUTLIER Pre-proline 0 N--CA 1.486 1.358 0 C-N-CA 128.345 2.658 . . . . 0.0 113.824 -167.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--N 1.353 0.784 0 C-N-CA 123.714 2.942 . . . . 0.0 112.526 -163.301 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.2 -30.47 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.52 1.054 . . . . 0.0 111.958 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.68 -34.59 73.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.501 1.121 . . . . 0.0 111.564 171.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -85.13 -57.0 3.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.573 1.149 . . . . 0.0 111.142 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -68.55 -27.57 66.2 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -77.44 -10.0 59.21 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.025 -1.047 . . . . 0.0 112.546 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -114.3 -32.28 6.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.655 1.982 . . . . 0.0 112.422 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -142.95 176.31 9.17 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.864 1.665 . . . . 0.0 112.373 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.05 133.21 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 120.94 -1.1 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -118.82 106.72 12.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.086 0.954 . . . . 0.0 110.733 164.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -94.87 173.23 7.7 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.492 1.517 . . . . 0.0 112.443 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.85 -43.48 59.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -73.09 -22.19 60.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -81.46 -48.49 11.8 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.801 1.241 . . . . 0.0 109.008 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.79 -33.21 73.7 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.484 1.514 . . . . 0.0 113.549 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.23 -26.39 66.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.375 0.67 . . . . 0.0 112.699 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -62.76 -17.65 61.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.87 5.97 26.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.668 1.187 . . . . 0.0 112.521 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -74.74 135.95 41.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.737 1.215 . . . . 0.0 110.905 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 N--CA 1.472 0.634 0 O-C-N 121.464 -0.773 . . . . 0.0 111.595 -179.344 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 p90 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.0 t 80.93 -33.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 128.343 2.657 . . . . 0.0 115.003 158.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m120 105.79 104.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 130.476 3.51 . . . . 0.0 107.223 -170.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -162.34 171.08 17.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.298 1.039 . . . . 0.0 109.462 -157.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -66.0 135.78 55.14 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.812 -0.555 . . . . 0.0 109.848 159.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -139.04 131.39 28.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 110.161 -173.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.8 125.42 7.62 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.833 -0.542 . . . . 0.0 110.952 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.04 -121.04 17.77 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 123.814 0.721 . . . . 0.0 111.939 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -53.02 -50.72 63.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.376 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -50.15 -42.25 50.51 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.852 -1.155 . . . . 0.0 113.314 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.06 -43.58 70.89 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.099 0.96 . . . . 0.0 110.795 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.17 -46.27 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.876 0.87 . . . . 0.0 112.029 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.36 -46.6 89.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.906 1.283 . . . . 0.0 110.8 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.48 78.54 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.674 0.79 . . . . 0.0 112.184 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -56.68 -44.31 81.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.924 0.489 . . . . 0.0 111.603 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.34 -45.01 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.432 0.56 . . . . 0.0 112.394 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.46 -36.22 83.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.414 -0.804 . . . . 0.0 112.517 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.34 -52.87 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.346 1.058 . . . . 0.0 111.351 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.15 -17.95 61.92 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -129.88 9.5 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.467 1.508 . . . . 0.0 112.308 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.67 -2.02 24.37 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.254 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -101.85 152.6 20.71 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.245 1.818 . . . . 0.0 111.495 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.71 -177.9 49.32 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 124.924 1.25 . . . . 0.0 113.654 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -137.89 150.53 47.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.274 1.43 . . . . 0.0 111.824 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -82.82 -8.95 59.54 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -65.08 -35.59 81.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.7 p -20.17 100.45 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 128.333 2.653 . . . . 0.0 113.965 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.354 0.835 0 C-N-CA 123.731 2.954 . . . . 0.0 112.089 -163.219 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.57 -31.61 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.64 0.776 . . . . 0.0 110.952 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.11 -3.42 7.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.018 1.727 . . . . 0.0 113.564 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -125.01 -51.3 1.68 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.373 1.469 . . . . 0.0 110.988 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -70.88 -33.93 71.09 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.83 -19.73 22.23 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.174 0.897 . . . . 0.0 112.78 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.9 p -90.95 -27.88 18.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.906 1.682 . . . . 0.0 112.918 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -148.59 -169.01 3.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.404 1.482 . . . . 0.0 111.723 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.49 139.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 120.522 -1.361 . . . . 0.0 110.54 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 p -139.45 161.95 36.22 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 112.173 162.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -148.92 163.57 37.08 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.45 1.1 . . . . 0.0 111.976 -162.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.52 -44.36 17.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -71.91 -23.66 61.51 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.68 -41.07 14.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.257 1.023 . . . . 0.0 110.273 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -60.58 -32.06 71.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.691 1.197 . . . . 0.0 113.078 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 27.1 tt0 -59.27 -26.46 64.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -64.35 -16.85 63.02 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -104.31 4.35 33.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.543 1.137 . . . . 0.0 112.668 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.429 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.0 m -71.22 148.17 47.52 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.398 -0.814 . . . . 0.0 112.183 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 123.357 0.663 . . . . 0.0 111.55 176.272 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.42 144.44 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.418 1.487 . . . . 0.0 110.088 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -54.56 125.03 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 112.658 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -168.76 -176.24 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.478 1.911 . . . . 0.0 109.763 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -77.73 121.12 23.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.582 0.753 . . . . 0.0 110.76 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.51 117.82 32.02 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.545 1.938 . . . . 0.0 110.672 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 140.06 51.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.874 1.27 . . . . 0.0 110.172 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -119.19 13.46 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.054 0.835 . . . . 0.0 113.523 170.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -53.04 -50.52 64.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.379 1.072 . . . . 0.0 112.249 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.91 -42.22 65.16 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.76 -1.213 . . . . 0.0 112.219 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.51 -41.44 76.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.89 0.876 . . . . 0.0 111.718 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.9 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.897 0.879 . . . . 0.0 112.029 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.72 -45.98 84.23 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.0 1.32 . . . . 0.0 111.016 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.82 79.29 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.87 0.868 . . . . 0.0 111.456 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.8 mt -54.88 -49.82 70.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.745 174.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -56.58 -40.99 76.18 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.92 1.236 . . . . 0.0 113.095 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.7 -32.29 70.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.271 -0.893 . . . . 0.0 112.838 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.26 -55.37 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.757 1.223 . . . . 0.0 111.175 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -74.3 -29.57 61.69 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.382 1.873 . . . . 0.0 114.174 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.95 -160.74 48.71 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.796 1.189 . . . . 0.0 112.501 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.2 -12.16 11.84 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -62.16 -34.73 76.96 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.875 1.27 . . . . 0.0 112.17 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.07 -163.65 54.23 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.901 1.239 . . . . 0.0 113.558 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.404 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 21.1 p80 -153.63 160.69 42.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.319 1.848 . . . . 0.0 111.685 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -87.33 -11.47 49.36 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -79.2 84.52 5.15 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.18 0.9 . . . . 0.0 111.059 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -114.73 85.27 11.25 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.096 1.358 . . . . 0.0 108.886 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo . . . . . 0 C--N 1.354 0.836 0 C-N-CA 123.73 2.953 . . . . 0.0 111.327 -172.036 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.91 -18.02 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.184 0.994 . . . . 0.0 112.669 -171.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.24 -21.7 62.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.989 1.316 . . . . 0.0 112.717 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.52 -26.61 2.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -98.25 17.4 18.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.928 1.24 . . . . 0.0 113.864 173.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -155.38 116.27 3.9 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.13 0.877 . . . . 0.0 112.773 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 p -75.39 127.0 32.15 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.811 2.844 . . . . 0.0 109.931 -15.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -168.55 168.7 10.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.384 1.474 . . . . 0.0 109.739 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -76.56 -42.99 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.52 -61.28 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.443 2.697 . . . . 0.0 114.404 -163.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m 78.96 166.95 0.2 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.109 2.563 . . . . 0.0 113.19 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.84 -45.1 29.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 115.235 -171.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -71.27 -22.91 61.9 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -85.16 -48.29 9.3 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.888 0.875 . . . . 0.0 109.607 170.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.76 -30.73 71.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.767 1.227 . . . . 0.0 113.103 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.95 -27.98 69.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.983 0.913 . . . . 0.0 112.823 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.86 -19.28 63.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.97 3.01 35.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.734 1.214 . . . . 0.0 112.385 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.43 134.39 48.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.016 1.326 . . . . 0.0 111.113 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.472 0.641 0 O-C-N 121.442 -0.786 . . . . 0.0 111.698 -178.29 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.0 p90 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.37 141.39 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.571 1.148 . . . . 0.0 110.009 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.36 40.31 0.1 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.999 1.72 . . . . 0.0 113.688 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -88.48 170.58 10.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.25 1.82 . . . . 0.0 110.881 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -65.81 130.77 44.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.839 -0.538 . . . . 0.0 110.351 161.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 163.01 20.78 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.179 1.392 . . . . 0.0 112.425 -174.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -168.36 159.46 10.58 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.978 2.511 . . . . 0.0 109.534 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.93 -124.0 19.06 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.39 0.995 . . . . 0.0 113.779 167.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -53.17 -48.55 67.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.269 1.028 . . . . 0.0 112.58 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -58.92 -39.25 80.99 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.595 -1.316 . . . . 0.0 112.706 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -66.54 -43.17 85.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.233 0.613 . . . . 0.0 110.861 175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.0 t -60.29 -44.11 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.132 0.973 . . . . 0.0 111.616 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.86 -47.34 85.44 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.744 1.217 . . . . 0.0 110.927 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.9 74.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.5 mt -55.49 -46.09 76.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.028 0.931 . . . . 0.0 111.73 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -62.48 -43.17 99.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.225 0.61 . . . . 0.0 112.399 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.32 -33.5 74.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.728 0.811 . . . . 0.0 112.83 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.28 -53.43 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.879 0.871 . . . . 0.0 111.18 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.58 -39.11 81.11 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -172.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 -134.3 13.36 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.809 1.195 . . . . 0.0 111.399 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.48 156.18 27.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.031 0.933 . . . . 0.0 112.279 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 78.11 -17.04 0.6 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.581 2.752 . . . . 0.0 113.75 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.23 -160.72 53.42 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.025 1.298 . . . . 0.0 114.035 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -133.71 161.78 33.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.511 1.524 . . . . 0.0 112.218 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -83.53 -12.5 56.12 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -80.38 85.97 5.79 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.262 -0.899 . . . . 0.0 111.409 173.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.8 p -115.25 85.87 13.47 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 124.328 1.051 . . . . 0.0 109.092 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.543 0.971 0 C-N-CA 124.065 3.177 . . . . 0.0 111.765 -173.407 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 3' ' ' VAL 0.336 6.6 tp . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 2' ' ' ILE . 25.9 t -61.72 -30.81 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.874 1.27 . . . . 0.0 111.439 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.63 -17.14 62.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.68 1.192 . . . . 0.0 112.692 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -103.44 -57.18 2.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.659 1.184 . . . . 0.0 110.032 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.43 -24.57 67.22 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -81.56 -17.4 48.5 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -116.82 -20.49 9.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.567 1.547 . . . . 0.0 113.459 -176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 t -143.73 163.68 32.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.24 1.816 . . . . 0.0 110.74 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -82.03 127.18 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 O-C-N 120.754 -1.216 . . . . 0.0 112.707 -165.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.66 146.49 26.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.125 1.37 . . . . 0.0 111.233 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -148.8 163.12 38.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.226 1.81 . . . . 0.0 109.238 -168.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.82 -48.29 4.31 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -173.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -71.12 -24.43 62.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.27 -45.63 13.59 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.628 1.171 . . . . 0.0 109.594 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.85 -33.22 72.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.102 1.761 . . . . 0.0 112.93 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -58.53 -26.5 63.58 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.742 0.817 . . . . 0.0 113.046 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -65.4 -17.73 64.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.945 -1.097 . . . . 0.0 113.863 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -107.51 5.86 27.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.946 1.298 . . . . 0.0 112.546 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.35 141.14 48.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.524 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 123.266 0.626 . . . . 0.0 111.59 173.46 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.36 156.68 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.818 1.647 . . . . 0.0 110.884 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.2 120.52 8.24 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.544 1.537 . . . . 0.0 111.839 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.68 176.31 7.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.796 1.639 . . . . 0.0 110.348 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -77.08 65.07 2.64 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.757 0.823 . . . . 0.0 111.38 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -51.07 122.86 8.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.421 1.888 . . . . 0.0 112.745 -172.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -169.16 162.87 10.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.635 0.774 . . . . 0.0 112.346 -169.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.37 -48.37 2.15 Favored Glycine 0 N--CA 1.477 1.371 0 C-N-CA 126.351 1.929 . . . . 0.0 114.261 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -159.06 -38.93 0.06 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.393 1.877 . . . . 0.0 110.982 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -31.02 32.19 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -36.99 79.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.555 1.142 . . . . 0.0 112.008 174.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.67 -44.21 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 0.0 110.553 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.74 -46.55 89.15 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.229 1.012 . . . . 0.0 110.653 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.53 70.0 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.462 1.105 . . . . 0.0 112.178 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.63 -40.66 84.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.163 0.438 . . . . 0.0 111.942 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.22 -43.57 97.73 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.54 0.609 . . . . 0.0 112.343 173.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.24 -32.97 71.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.556 -0.715 . . . . 0.0 112.836 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.83 -54.83 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.102 0.961 . . . . 0.0 111.115 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.6 -29.31 56.48 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 -164.6 33.22 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.353 1.454 . . . . 0.0 113.28 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.94 -16.89 47.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -77.36 -8.79 58.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.59 -163.78 54.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.776 1.179 . . . . 0.0 114.219 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -149.21 159.5 44.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.113 1.365 . . . . 0.0 112.271 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -82.8 -11.4 58.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.17 -37.03 84.65 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -20.73 99.64 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.399 0 C-N-CA 128.348 2.659 . . . . 0.0 113.783 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 C--N 1.351 0.708 0 C-N-CA 123.732 2.955 . . . . 0.0 112.312 -164.152 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -58.38 -27.03 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.033 1.333 . . . . 0.0 112.974 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.08 -13.92 60.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.056 0.942 . . . . 0.0 112.531 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.18 -65.15 0.98 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.5 1.12 . . . . 0.0 110.255 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -81.48 -7.11 59.54 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -162.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.81 91.63 5.45 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.185 0.994 . . . . 0.0 110.933 166.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -110.92 117.68 34.03 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 130.425 3.49 . . . . 0.0 109.663 -8.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -167.33 160.12 13.18 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.446 1.899 . . . . 0.0 109.831 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -65.97 120.69 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.067 -1.02 . . . . 0.0 111.555 -173.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.49 138.0 38.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.763 1.225 . . . . 0.0 109.175 160.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -140.25 151.37 45.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.296 1.038 . . . . 0.0 111.723 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -45.11 37.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.14 -23.48 61.3 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.2 -45.13 12.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.394 1.078 . . . . 0.0 110.027 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.03 -29.72 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.124 1.77 . . . . 0.0 113.204 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.06 -26.67 68.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -65.86 -17.73 64.85 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.985 -1.072 . . . . 0.0 113.738 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.02 3.74 33.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.029 1.331 . . . . 0.0 112.046 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.48 136.62 54.9 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.998 1.319 . . . . 0.0 110.964 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.5 -0.75 . . . . 0.0 111.716 178.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m 59.5 154.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 130.273 3.429 . . . . 0.0 116.087 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -68.67 110.84 4.46 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.513 1.125 . . . . 0.0 110.038 175.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -161.79 -177.48 5.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.824 1.25 . . . . 0.0 111.39 -174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -76.08 51.48 0.67 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.028 1.731 . . . . 0.0 113.384 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.24 128.1 34.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.125 1.77 . . . . 0.0 110.897 -173.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -144.22 133.46 23.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.052 0.941 . . . . 0.0 111.277 -169.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.8 -119.78 17.63 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.773 0.701 . . . . 0.0 112.432 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p -54.93 -49.37 71.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.552 1.141 . . . . 0.0 112.333 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -52.88 -38.27 61.46 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.045 -1.034 . . . . 0.0 112.866 174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 -46.55 67.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.458 1.103 . . . . 0.0 110.731 178.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.75 -43.23 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.369 1.068 . . . . 0.0 111.933 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -62.84 -46.64 86.99 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.828 1.251 . . . . 0.0 111.098 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -50.48 73.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.078 0.951 . . . . 0.0 111.78 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.71 -44.38 73.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.548 0.739 . . . . 0.0 111.782 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.55 -41.74 92.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.44 -37.11 85.93 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.596 1.089 . . . . 0.0 112.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.21 -54.86 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.05 0.94 . . . . 0.0 111.137 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 t -74.47 -30.49 61.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.41 -155.27 41.53 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.677 1.608 . . . . 0.0 112.667 -173.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.33 -18.98 31.45 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.714 1.606 . . . . 0.0 114.254 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.54 70.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.055 1.342 . . . . 0.0 112.799 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.8 -174.9 42.17 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.586 1.088 . . . . 0.0 113.444 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -143.56 159.19 42.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.421 1.088 . . . . 0.0 112.329 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -80.89 -17.91 49.03 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.37 88.79 3.76 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.218 0.917 . . . . 0.0 111.337 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -118.93 87.78 34.53 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.766 1.226 . . . . 0.0 109.285 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 C--N 1.352 0.763 0 C-N-CA 123.838 3.025 . . . . 0.0 112.11 -174.696 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.53 -25.86 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.451 0.7 . . . . 0.0 112.757 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -82.96 -2.56 55.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.48 1.112 . . . . 0.0 112.671 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.21 -46.86 2.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.232 1.413 . . . . 0.0 111.313 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.3 m -92.29 -27.39 17.63 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.68 -19.89 54.57 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.025 -1.047 . . . . 0.0 112.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.6 p -102.9 -31.73 10.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.114 2.165 . . . . 0.0 113.212 -174.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -140.35 179.05 6.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.325 1.45 . . . . 0.0 112.198 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.45 126.38 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.845 -1.16 . . . . 0.0 111.106 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.78 138.78 35.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.049 1.74 . . . . 0.0 110.947 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -152.65 164.53 37.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.709 1.204 . . . . 0.0 111.275 -172.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.2 -43.96 42.75 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -73.88 -20.83 60.29 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -84.83 -46.88 10.92 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.612 1.165 . . . . 0.0 109.149 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.45 -36.11 75.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.586 1.554 . . . . 0.0 113.709 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.72 -27.24 66.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.452 0.701 . . . . 0.0 112.848 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -61.49 -19.11 61.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -106.71 6.9 30.13 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.938 1.295 . . . . 0.0 112.453 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -70.97 143.9 50.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.94 0.896 . . . . 0.0 111.646 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.171 0.988 . . . . 0.0 112.112 179.421 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.1 p90 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.98 146.8 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.22 1.808 . . . . 0.0 108.973 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.5 127.49 13.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.93 1.292 . . . . 0.0 113.435 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -172.21 174.76 3.88 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.611 1.964 . . . . 0.0 109.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -77.86 58.22 1.85 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.768 1.227 . . . . 0.0 112.559 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.26 132.59 39.14 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.15 152.19 22.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.337 0.655 . . . . 0.0 112.075 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 -130.04 29.64 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.808 0.718 . . . . 0.0 111.68 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -64.53 -32.41 74.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.457 0.703 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -33.65 65.72 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.508 -1.37 . . . . 0.0 112.929 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.17 -34.88 79.04 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.999 0.92 . . . . 0.0 112.985 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.5 -44.24 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 119.401 1.001 . . . . 0.0 109.95 -175.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.69 -35.31 74.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.29 0.636 . . . . 0.0 112.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.81 73.21 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.377 -0.827 . . . . 0.0 111.716 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.27 -42.42 86.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.797 0.839 . . . . 0.0 111.736 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.24 -41.63 93.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.521 0.6 . . . . 0.0 112.423 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.32 -41.85 80.2 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.779 0.718 . . . . 0.0 112.733 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.8 -52.54 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.905 0.882 . . . . 0.0 111.433 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.12 -26.5 61.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.457 1.103 . . . . 0.0 113.383 -174.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.73 -43.45 2.79 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.148 1.833 . . . . 0.0 115.179 167.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -138.22 147.25 43.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.046 1.338 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 65.07 176.93 0.2 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.061 2.144 . . . . 0.0 112.975 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.49 117.13 4.56 Favored Glycine 0 N--CA 1.468 0.829 0 C-N-CA 124.291 0.948 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.89 160.86 22.41 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.456 1.103 . . . . 0.0 112.446 164.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -84.15 -18.27 37.3 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -80.11 104.86 10.96 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.467 1.03 . . . . 0.0 110.892 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -135.84 100.75 10.84 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 124.243 1.017 . . . . 0.0 108.373 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo . . . . . 0 C--N 1.351 0.692 0 C-N-CA 123.797 2.998 . . . . 0.0 111.646 -169.357 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.313 12.0 tt . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 117.474 2.398 . . . . 0.0 117.474 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.32 -35.38 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.062 1.345 . . . . 0.0 110.836 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -64.79 -15.0 61.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.345 1.058 . . . . 0.0 113.3 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -98.62 -62.29 1.26 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.208 1.003 . . . . 0.0 109.85 168.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -68.82 -24.84 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -166.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -111.77 87.02 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.211 1.404 . . . . 0.0 111.113 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -116.65 118.23 32.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 129.274 3.03 . . . . 0.0 111.25 -0.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -163.61 159.3 21.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.34 165.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.3 119.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.276 -0.89 . . . . 0.0 110.853 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 m -114.87 150.42 35.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.768 1.227 . . . . 0.0 111.567 170.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 m -151.95 159.43 43.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.832 1.253 . . . . 0.0 110.877 -163.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.33 -45.3 45.29 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -71.01 -21.72 62.25 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.91 -43.45 11.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.47 1.108 . . . . 0.0 110.502 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.57 -30.09 71.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.015 1.326 . . . . 0.0 113.507 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.37 -27.03 67.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.777 0.831 . . . . 0.0 112.694 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -62.32 -17.2 58.17 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -104.62 3.0 31.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.619 1.167 . . . . 0.0 112.832 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.06 140.33 54.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.804 1.242 . . . . 0.0 111.132 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.414 -0.804 . . . . 0.0 112.041 175.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 p90 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.45 159.83 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.293 1.037 . . . . 0.0 111.878 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.04 118.89 5.9 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.702 1.201 . . . . 0.0 110.46 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.77 170.51 19.45 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.39 0.676 . . . . 0.0 112.706 -168.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -73.92 135.0 43.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.478 1.111 . . . . 0.0 110.601 169.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.23 130.25 38.79 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.82 0.848 . . . . 0.0 111.687 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -132.91 136.9 46.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.255 1.422 . . . . 0.0 110.315 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.16 -120.99 20.44 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.237 0.923 . . . . 0.0 113.554 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -46.63 64.23 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.018 1.327 . . . . 0.0 112.71 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -38.76 75.05 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.686 -1.259 . . . . 0.0 112.498 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -42.72 70.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.686 1.194 . . . . 0.0 110.574 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.64 -45.0 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.428 1.091 . . . . 0.0 111.904 172.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.46 -44.56 94.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 111.143 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.0 -48.9 79.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.722 0.809 . . . . 0.0 111.416 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.67 -45.26 81.8 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.206 0.603 . . . . 0.0 112.036 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.79 -38.01 80.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.129 0.972 . . . . 0.0 113.008 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.16 -40.26 52.98 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.645 0.778 . . . . 0.0 112.294 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.52 -51.68 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.553 1.141 . . . . 0.0 111.178 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.73 -27.53 68.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.756 0.822 . . . . 0.0 112.518 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.12 1.18 Allowed Glycine 0 C--N 1.342 0.901 0 C-N-CA 125.186 1.374 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.336 10.7 pt-20 48.0 -133.47 1.3 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.931 1.293 . . . . 0.0 111.154 -158.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 66.94 -16.85 0.13 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.498 2.319 . . . . 0.0 115.286 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.88 172.87 49.55 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.274 1.892 . . . . 0.0 113.294 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.78 155.85 35.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.816 1.646 . . . . 0.0 110.489 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -84.51 -12.8 53.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -171.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.76 87.64 5.84 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.135 0.88 . . . . 0.0 111.002 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.5 p -118.14 93.14 44.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 124.843 1.257 . . . . 0.0 109.339 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.352 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 112.137 -175.467 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.24 -28.56 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.06 -22.99 55.05 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.897 0.879 . . . . 0.0 111.78 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -87.52 -66.44 0.91 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.434 1.093 . . . . 0.0 109.589 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -29.38 70.38 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -163.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.19 -15.42 63.39 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -124.42 -28.2 3.66 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.032 1.733 . . . . 0.0 112.694 -171.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 m -127.14 156.09 42.32 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.003 2.521 . . . . 0.0 111.208 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.11 134.89 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.171 -0.956 . . . . 0.0 111.841 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.79 -113.61 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.254 1.421 . . . . 0.0 111.685 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m 89.61 148.18 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 128.888 2.875 . . . . 0.0 112.698 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.54 -44.85 66.06 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.31 -22.31 61.95 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -85.76 -48.18 9.05 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.297 1.039 . . . . 0.0 109.608 170.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.62 -31.11 67.79 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.177 1.391 . . . . 0.0 113.402 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.0 -27.46 68.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.744 0.818 . . . . 0.0 112.852 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -16.76 61.59 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -108.05 9.78 28.35 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.158 1.383 . . . . 0.0 112.019 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.45 144.45 48.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.331 1.053 . . . . 0.0 111.443 172.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 124.012 0.925 . . . . 0.0 111.795 177.693 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t 78.28 148.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 128.233 2.613 . . . . 0.0 111.723 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -70.07 92.61 0.75 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.747 1.219 . . . . 0.0 110.297 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -155.85 179.61 9.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.054 0.942 . . . . 0.0 112.754 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -87.53 58.18 4.8 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.159 1.783 . . . . 0.0 112.91 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 137.3 58.17 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.884 -1.135 . . . . 0.0 112.065 -175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -136.16 151.03 49.33 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.215 1.006 . . . . 0.0 111.751 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.78 -125.74 37.48 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.636 0.636 . . . . 0.0 112.987 171.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -54.55 -49.44 70.32 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.235 1.014 . . . . 0.0 112.234 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.88 -35.72 69.26 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.963 -1.086 . . . . 0.0 113.097 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.03 -44.67 72.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.477 0.711 . . . . 0.0 111.363 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.58 -42.84 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.63 0.65 . . . . 0.0 111.669 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.44 -47.82 84.0 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.086 1.354 . . . . 0.0 111.096 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.74 75.1 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.609 0.763 . . . . 0.0 112.201 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.69 -42.32 78.87 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.39 0.676 . . . . 0.0 111.567 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -64.49 -41.47 96.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.474 0.71 . . . . 0.0 112.577 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.59 -40.85 89.1 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.958 0.799 . . . . 0.0 112.046 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.36 -52.46 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.491 1.116 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.72 -31.93 72.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.564 0.746 . . . . 0.0 112.556 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.1 -0.69 58.26 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 126.076 1.798 . . . . 0.0 115.295 169.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -172.87 167.96 5.06 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.332 2.253 . . . . 0.0 108.374 -168.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 72.3 -23.8 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.352 2.261 . . . . 0.0 115.687 161.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.69 14.28 70.72 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.201 1.382 . . . . 0.0 115.777 171.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 45.88 -166.66 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.457 1.903 . . . . 0.0 115.105 -174.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.48 -10.54 13.19 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -88.72 87.74 7.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.758 0.823 . . . . 0.0 110.872 174.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -117.2 85.93 19.97 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 124.791 1.236 . . . . 0.0 110.03 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--N 1.351 0.696 0 C-N-CA 123.819 3.013 . . . . 0.0 112.113 -176.751 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.95 -37.9 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.535 0.734 . . . . 0.0 110.08 -169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.93 -12.9 54.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.078 1.751 . . . . 0.0 113.341 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.86 -64.9 1.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.707 1.203 . . . . 0.0 109.912 170.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 m -75.75 -26.04 57.07 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -164.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.34 -31.08 14.8 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.454 0.57 . . . . 0.0 112.183 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.2 m -77.84 -37.18 49.01 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.397 1.479 . . . . 0.0 112.486 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -139.89 -169.01 2.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.741 1.616 . . . . 0.0 111.05 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.39 127.52 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.828 -1.17 . . . . 0.0 111.444 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -90.31 156.77 18.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 112.08 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -151.99 156.68 40.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.521 0.729 . . . . 0.0 112.034 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -53.82 -43.04 69.05 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -73.05 -27.81 61.96 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -71.93 -49.46 37.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.92 -37.43 84.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.791 1.636 . . . . 0.0 113.665 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -28.01 68.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.89 -14.47 59.8 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -109.4 7.57 25.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.726 1.21 . . . . 0.0 112.962 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.72 140.01 51.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.713 1.205 . . . . 0.0 111.286 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.536 -0.728 . . . . 0.0 111.494 175.174 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t 73.65 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 128.954 2.901 . . . . 0.0 113.438 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.05 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.209 1.804 . . . . 0.0 110.817 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 82.49 159.67 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.193 2.597 . . . . 0.0 113.409 165.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -85.67 39.42 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.681 1.593 . . . . 0.0 112.015 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pp -63.92 133.52 53.41 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.78 1.632 . . . . 0.0 114.108 -167.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.1 m -128.13 157.3 41.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.701 2.0 . . . . 0.0 111.187 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.29 -119.49 13.67 Favored Glycine 0 N--CA 1.474 1.23 0 C-N-CA 123.937 0.779 . . . . 0.0 113.906 165.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -54.88 -53.04 60.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.294 1.037 . . . . 0.0 112.118 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.23 -39.58 60.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.501 1.12 . . . . 0.0 112.079 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.43 -38.24 71.38 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.985 0.914 . . . . 0.0 112.153 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.89 -43.82 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.246 1.019 . . . . 0.0 111.303 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.7 -45.45 92.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.21 0.604 . . . . 0.0 111.343 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.16 70.84 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.987 0.915 . . . . 0.0 111.225 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.91 -45.03 78.8 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.946 0.498 . . . . 0.0 111.96 175.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -62.29 -43.49 98.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.805 0.729 . . . . 0.0 112.543 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.7 -34.45 77.87 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.458 -0.776 . . . . 0.0 112.491 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.63 -52.6 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.807 0.843 . . . . 0.0 111.548 173.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 t -80.0 -25.54 40.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.84 -159.5 43.94 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.466 1.507 . . . . 0.0 112.854 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.18 -7.07 5.1 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -60.66 -29.75 69.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.512 1.525 . . . . 0.0 112.965 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.75 -174.99 52.29 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.809 1.195 . . . . 0.0 113.116 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -153.61 157.84 40.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.443 1.097 . . . . 0.0 112.556 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -90.11 -6.09 55.8 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.13 -38.55 90.99 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.3 p -23.52 103.18 0.1 Allowed Pre-proline 0 N--CA 1.484 1.227 0 C-N-CA 128.12 2.568 . . . . 0.0 113.823 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.354 0.861 0 C-N-CA 123.647 2.898 . . . . 0.0 112.11 -163.254 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.28 -27.07 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 120.133 1.333 . . . . 0.0 113.455 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.7 -6.37 25.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 172.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.24 -62.13 1.58 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.588 1.555 . . . . 0.0 109.836 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.8 t -78.03 -30.71 50.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.56 -25.47 22.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.887 0.875 . . . . 0.0 112.434 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -84.51 -33.64 23.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.486 1.514 . . . . 0.0 112.568 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -136.8 -176.7 4.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.596 1.159 . . . . 0.0 112.336 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.36 133.23 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.699 1.2 . . . . 0.0 110.554 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -136.05 120.62 18.25 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.007 1.323 . . . . 0.0 111.998 -172.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -130.94 174.88 9.56 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.803 1.241 . . . . 0.0 112.772 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.1 -42.85 14.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -73.3 -22.99 60.22 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.68 -47.11 11.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.676 1.19 . . . . 0.0 109.095 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.47 -34.45 69.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.811 1.644 . . . . 0.0 112.973 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.17 -26.87 65.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.882 0.873 . . . . 0.0 113.198 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -65.48 -18.7 65.52 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.926 -1.109 . . . . 0.0 113.56 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.79 8.63 26.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.197 1.399 . . . . 0.0 112.245 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.74 140.19 45.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.88 1.272 . . . . 0.0 111.419 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.569 0.748 . . . . 0.0 111.626 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.61 173.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.597 1.959 . . . . 0.0 109.328 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -62.01 100.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.684 -1.26 . . . . 0.0 109.136 160.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.01 168.42 27.17 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.999 0.919 . . . . 0.0 111.797 -167.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -74.21 128.15 34.79 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.297 0.639 . . . . 0.0 109.688 164.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.37 126.19 54.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.801 0.84 . . . . 0.0 111.024 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.15 165.2 13.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -172.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.81 -49.48 2.1 Favored Glycine 0 N--CA 1.479 1.502 0 C-N-CA 126.405 1.955 . . . . 0.0 114.516 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.9 t -156.86 -40.88 0.07 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.57 1.948 . . . . 0.0 110.475 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -35.5 20.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.191 1.396 . . . . 0.0 113.71 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -41.23 98.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.411 1.484 . . . . 0.0 112.019 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -69.54 -43.34 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.25 1.02 . . . . 0.0 110.553 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.2 -45.15 93.05 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.43 -49.34 71.87 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.561 1.144 . . . . 0.0 112.097 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.9 mt -57.09 -41.85 79.63 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.668 0.387 . . . . 0.0 111.326 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.61 -39.56 93.94 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 173.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.18 -40.29 94.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.694 1.134 . . . . 0.0 112.056 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.71 -50.68 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.816 1.246 . . . . 0.0 111.329 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.15 -11.7 46.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 144.16 39.65 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.523 1.058 . . . . 0.0 114.15 -166.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.43 10.76 14.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.486 2.714 . . . . 0.0 114.507 0.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -73.88 -17.89 60.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -166.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.74 -171.98 51.42 Favored Glycine 0 N--CA 1.473 1.118 0 C-N-CA 124.682 1.134 . . . . 0.0 113.375 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -152.8 155.91 38.05 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.641 -0.917 . . . . 0.0 113.124 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -83.09 -11.22 58.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.729 1.212 . . . . 0.0 114.029 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.14 -39.17 92.65 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -18.04 98.25 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 128.521 2.728 . . . . 0.0 113.898 -168.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--N 1.352 0.717 0 C-N-CA 123.798 2.999 . . . . 0.0 112.071 -162.093 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.98 -25.37 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.798 0.839 . . . . 0.0 111.857 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.44 -17.83 60.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.289 1.436 . . . . 0.0 112.74 171.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -106.06 -52.63 2.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.381 1.472 . . . . 0.0 110.103 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.83 -31.21 70.64 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -72.52 -16.26 61.78 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.126 -0.983 . . . . 0.0 113.579 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -125.43 -13.78 6.53 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.655 1.582 . . . . 0.0 114.073 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -147.1 155.89 42.55 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.052 1.741 . . . . 0.0 110.798 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -79.95 125.81 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 120.509 -1.37 . . . . 0.0 113.213 -162.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.11 95.52 6.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -83.74 168.93 15.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.201 1.0 . . . . 0.0 112.311 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -44.93 -44.61 9.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.956 1.702 . . . . 0.0 115.453 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.93 -23.63 62.29 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -90.06 -37.93 13.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.53 -35.55 72.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.404 1.081 . . . . 0.0 112.425 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.07 -26.19 65.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.944 0.897 . . . . 0.0 112.745 175.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -64.51 -18.58 64.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.059 -1.026 . . . . 0.0 113.354 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.93 7.09 29.82 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.046 1.338 . . . . 0.0 112.597 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -72.39 137.89 46.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.681 1.193 . . . . 0.0 111.235 175.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.614 -0.679 . . . . 0.0 111.883 177.252 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 m 61.39 148.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 130.714 3.606 . . . . 0.0 115.285 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -63.92 129.97 42.19 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.569 -0.707 . . . . 0.0 110.659 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -169.21 171.02 8.29 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.833 1.253 . . . . 0.0 109.938 -168.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.65 58.13 1.35 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.258 1.023 . . . . 0.0 111.286 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.04 133.4 38.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.866 2.066 . . . . 0.0 113.242 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t -155.27 141.94 18.89 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.353 0.661 . . . . 0.0 111.155 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.09 -129.1 45.71 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.711 0.672 . . . . 0.0 112.344 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -53.23 -47.1 69.27 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.617 1.167 . . . . 0.0 112.657 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -40.49 67.51 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.881 -1.137 . . . . 0.0 112.495 178.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -69.59 -41.93 75.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.95 0.9 . . . . 0.0 111.429 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.61 -45.45 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.091 0.86 . . . . 0.0 111.73 174.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.96 -46.84 87.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.54 1.136 . . . . 0.0 110.781 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.09 69.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.296 1.038 . . . . 0.0 111.971 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.68 -43.55 80.55 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.478 0.711 . . . . 0.0 111.57 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.18 -43.82 97.16 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.69 -32.96 73.14 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.423 -0.798 . . . . 0.0 112.631 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.21 -54.27 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.338 1.055 . . . . 0.0 111.219 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.25 -29.11 60.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -158.4 41.4 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.177 1.37 . . . . 0.0 112.607 -172.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.7 -11.32 11.39 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.26 -25.28 65.1 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.555 1.142 . . . . 0.0 113.021 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.68 -170.13 52.96 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.73 1.157 . . . . 0.0 113.767 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -148.1 154.87 40.77 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.391 1.076 . . . . 0.0 112.457 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -81.31 -10.59 59.54 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.642 1.177 . . . . 0.0 114.173 -175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.79 -38.24 88.48 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -20.19 99.92 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.3 2.64 . . . . 0.0 113.9 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo . . . . . 0 C--N 1.353 0.779 0 C-N-CA 123.845 3.03 . . . . 0.0 112.138 -164.676 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.37 -27.39 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -163.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.26 -6.96 26.66 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.702 1.201 . . . . 0.0 113.25 175.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -120.63 -48.26 2.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.277 1.431 . . . . 0.0 110.556 167.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -79.29 -2.06 39.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -170.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.49 -22.6 11.58 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 163.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -91.8 -24.82 19.28 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.385 1.474 . . . . 0.0 113.367 -173.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -149.65 -172.94 4.27 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.167 1.387 . . . . 0.0 111.674 178.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.8 134.12 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.151 0.98 . . . . 0.0 110.545 177.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 t -140.37 149.19 42.37 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.268 1.027 . . . . 0.0 111.243 174.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -149.11 156.86 42.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.516 -149.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -49.72 -44.61 48.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -72.08 -22.3 61.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.55 -44.81 11.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.435 1.094 . . . . 0.0 110.064 172.021 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.98 -34.29 71.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.502 1.521 . . . . 0.0 113.407 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.96 -27.45 65.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.514 0.726 . . . . 0.0 112.822 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -63.72 -18.26 63.84 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.69 7.4 30.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.847 1.259 . . . . 0.0 112.534 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -67.96 145.2 54.76 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.412 1.085 . . . . 0.0 111.395 174.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.898 0.879 . . . . 0.0 112.682 -176.713 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -138.76 149.25 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.393 1.877 . . . . 0.0 108.874 178.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -42.15 116.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.573 1.949 . . . . 0.0 113.039 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -163.86 -177.09 4.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.753 2.021 . . . . 0.0 109.388 -173.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -78.34 -11.19 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -175.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt 55.16 -153.43 0.32 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.597 2.359 . . . . 0.0 111.508 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t 86.53 -28.72 0.06 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.565 2.346 . . . . 0.0 114.87 157.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.38 69.83 2.24 Favored Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.261 1.41 . . . . 0.0 111.634 176.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m 75.17 -4.79 2.3 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.156 2.582 . . . . 0.0 112.817 -169.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.37 -154.4 0.19 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.733 2.013 . . . . 0.0 112.921 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 76.9 -54.68 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.242 3.017 . . . . 0.0 110.864 170.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.93 -43.29 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.622 1.169 . . . . 0.0 110.365 161.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.61 -45.53 89.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.141 1.376 . . . . 0.0 111.039 175.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.05 71.34 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.832 0.853 . . . . 0.0 111.135 176.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.45 -46.54 76.77 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.614 0.765 . . . . 0.0 111.905 175.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.1 -43.79 95.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.585 0.63 . . . . 0.0 112.468 175.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.91 -36.03 75.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.642 0.777 . . . . 0.0 112.517 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.02 -53.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.204 1.002 . . . . 0.0 111.204 173.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t -71.09 -22.55 62.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.424 1.089 . . . . 0.0 113.746 -174.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.0 3.19 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.199 1.857 . . . . 0.0 114.534 168.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -164.71 158.35 17.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.978 1.311 . . . . 0.0 112.576 -176.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 73.83 4.0 4.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.822 2.449 . . . . 0.0 114.409 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.37 -144.6 19.98 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 125.218 1.389 . . . . 0.0 114.232 169.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -172.78 162.47 4.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.595 1.958 . . . . 0.0 111.702 -172.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -87.88 -8.88 55.22 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.82 -41.96 95.34 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.7 p -11.07 91.71 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 129.185 2.994 . . . . 0.0 114.125 -171.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--N 1.353 0.784 0 C-N-CA 123.836 3.024 . . . . 0.0 112.359 -166.343 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.76 -26.81 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.803 1.641 . . . . 0.0 113.311 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.31 -14.1 60.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.235 1.014 . . . . 0.0 112.806 176.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -109.12 -84.26 0.55 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.692 1.597 . . . . 0.0 108.903 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -56.41 -40.36 74.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -161.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.8 -18.05 62.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -111.66 -30.98 7.13 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.372 1.869 . . . . 0.0 112.086 -173.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -156.33 147.88 22.66 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.803 1.641 . . . . 0.0 111.126 -176.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 mt -68.0 132.35 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.542 -0.724 . . . . 0.0 112.5 -161.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -122.08 163.16 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.319 1.448 . . . . 0.0 111.833 176.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -146.19 174.38 11.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.287 1.435 . . . . 0.0 110.768 -170.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.13 -45.59 8.3 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -72.48 -23.48 61.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -84.13 -47.36 10.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.568 1.147 . . . . 0.0 109.517 171.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.84 -32.47 69.44 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.728 1.611 . . . . 0.0 113.204 179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.0 -26.78 66.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.707 0.803 . . . . 0.0 113.065 177.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -64.67 -17.49 64.12 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.974 -1.079 . . . . 0.0 113.758 177.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.35 5.85 27.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.418 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.04 141.58 49.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.259 1.423 . . . . 0.0 111.297 175.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.472 0.668 0 O-C-N 121.478 -0.763 . . . . 0.0 111.655 177.25 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.4 t -127.22 142.76 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.862 1.665 . . . . 0.0 109.519 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.98 134.35 55.65 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.473 1.109 . . . . 0.0 113.285 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -177.77 179.61 0.87 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.459 2.704 . . . . 0.0 108.332 -173.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.62 58.74 1.84 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.967 0.907 . . . . 0.0 111.927 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 mt -49.23 129.48 18.21 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.51 1.924 . . . . 0.0 111.749 -173.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.22 142.96 22.89 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.267 0.627 . . . . 0.0 112.145 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.95 -123.47 28.4 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.329 0.49 . . . . 0.0 111.944 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -53.01 -53.09 55.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.544 1.138 . . . . 0.0 112.459 177.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -48.1 -43.43 30.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.902 1.281 . . . . 0.0 113.06 173.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.87 -38.37 57.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.822 0.849 . . . . 0.0 112.129 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.84 -42.5 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.986 0.915 . . . . 0.0 111.39 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.76 -47.74 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.723 1.209 . . . . 0.0 110.981 175.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.35 73.81 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.678 0.791 . . . . 0.0 111.554 177.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.33 -43.39 83.32 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.201 0.601 . . . . 0.0 111.956 176.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.53 -44.36 96.55 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.92 0.782 . . . . 0.0 112.432 174.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.63 -31.82 71.25 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.529 0.732 . . . . 0.0 112.609 -178.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.21 -54.65 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.143 0.977 . . . . 0.0 111.362 170.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.2 t -79.28 -34.87 42.12 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -166.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.53 -171.86 31.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.622 1.582 . . . . 0.0 113.68 -174.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.91 -15.11 58.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.507 1.523 . . . . 0.0 114.613 -174.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.2 -16.69 63.8 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.101 1.36 . . . . 0.0 114.057 171.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 -171.23 54.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.999 1.285 . . . . 0.0 114.345 171.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -147.8 159.84 43.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.295 1.438 . . . . 0.0 111.92 -174.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -84.82 -13.74 50.15 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -173.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -80.18 88.99 5.43 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.257 0.935 . . . . 0.0 111.097 171.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -118.44 88.94 35.12 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 124.543 1.137 . . . . 0.0 108.452 174.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--N 1.353 0.807 0 C-N-CA 124.039 3.159 . . . . 0.0 112.252 -169.934 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.4 -49.62 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.64 -45.56 86.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.253 0.621 . . . . 0.0 111.473 -174.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.73 -21.84 63.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.4 m -104.69 -31.25 9.45 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -100.85 -28.68 12.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.228 1.011 . . . . 0.0 113.322 -174.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -103.82 -44.12 5.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.082 1.353 . . . . 0.0 110.536 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.0 m -97.71 179.89 4.67 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.161 0.984 . . . . 0.0 111.745 163.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.5 mm -98.11 137.91 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.666 1.186 . . . . 0.0 110.23 174.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -126.65 167.48 15.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.722 1.209 . . . . 0.0 112.998 176.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -145.1 167.46 22.67 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.145 1.378 . . . . 0.0 112.603 -174.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -47.58 -45.43 27.25 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.451 1.901 . . . . 0.0 115.457 -173.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.38 -23.21 62.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.324 -0.86 . . . . 0.0 113.252 -176.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.34 -44.32 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.21 1.004 . . . . 0.0 110.156 170.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.48 -30.44 68.54 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.597 1.159 . . . . 0.0 113.468 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.95 -26.17 67.33 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.506 -0.746 . . . . 0.0 112.804 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 177.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.53 5.76 31.71 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 0.0 112.448 178.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.85 139.12 53.05 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.168 1.387 . . . . 0.0 111.442 174.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.758 0.789 . . . . 0.0 111.557 179.046 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.24 150.01 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.115 1.366 . . . . 0.0 109.781 175.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.82 127.72 24.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.388 1.075 . . . . 0.0 112.503 174.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -169.51 166.78 10.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.37 1.868 . . . . 0.0 109.684 -173.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -71.74 118.79 15.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.77 -0.581 . . . . 0.0 110.831 170.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.2 mt -108.02 122.88 47.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.738 1.615 . . . . 0.0 109.843 177.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.4 m -134.97 138.07 43.67 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.689 1.196 . . . . 0.0 110.094 -176.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -121.79 25.25 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.868 0.747 . . . . 0.0 112.932 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -53.52 -38.78 64.08 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.924 1.29 . . . . 0.0 113.419 177.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.6 94.93 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.207 -0.933 . . . . 0.0 111.627 177.095 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -43.36 74.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.377 1.471 . . . . 0.0 110.242 176.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.03 -49.23 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.321 1.049 . . . . 0.0 111.927 174.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.74 -32.52 69.71 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.058 0.844 . . . . 0.0 112.461 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.67 68.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.992 0.815 . . . . 0.0 111.296 171.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.0 mt -54.9 -44.93 74.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.663 0.785 . . . . 0.0 111.432 175.226 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.06 -40.75 98.64 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.23 -39.7 82.23 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.422 1.01 . . . . 0.0 111.82 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.11 -52.11 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.554 1.142 . . . . 0.0 110.851 175.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.32 -34.17 63.39 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -174.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.1 -161.01 39.18 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.004 1.288 . . . . 0.0 112.483 -170.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 -12.64 16.24 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.2 -30.89 70.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.902 1.281 . . . . 0.0 113.175 173.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 -173.19 47.39 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.433 1.016 . . . . 0.0 113.369 -177.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -144.98 158.22 43.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.324 1.05 . . . . 0.0 112.902 -174.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -85.08 -9.73 57.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.756 1.222 . . . . 0.0 114.181 -177.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.72 -37.22 86.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -175.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.3 p -21.61 99.84 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.377 0 C-N-CA 128.332 2.653 . . . . 0.0 113.537 -168.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo . . . . . 0 CA--C 1.542 0.905 0 C-N-CA 123.231 2.62 . . . . 0.0 111.411 -161.654 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.5 t -67.0 -21.01 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.927 1.291 . . . . 0.0 112.158 -178.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.23 -3.39 31.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.663 1.585 . . . . 0.0 112.49 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -133.29 -52.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.158 0.983 . . . . 0.0 112.319 -163.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.23 -45.25 6.58 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.566 1.146 . . . . 0.0 110.729 176.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 137.08 50.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.691 171.384 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p 76.74 7.23 3.26 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 128.682 2.793 . . . . 0.0 113.978 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -138.1 174.77 10.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.261 1.424 . . . . 0.0 111.141 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.23 116.87 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.224 -0.923 . . . . 0.0 109.258 174.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -136.79 95.72 3.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.057 0.943 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -88.34 174.9 7.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.816 1.246 . . . . 0.0 112.627 -177.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.54 -42.61 33.9 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -174.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -74.24 -22.15 59.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -82.72 -47.79 11.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 108.981 171.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.5 -36.54 69.29 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.322 1.849 . . . . 0.0 113.024 178.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.47 -27.24 65.94 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -63.95 -17.34 63.16 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.88 7.69 28.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.875 1.27 . . . . 0.0 112.166 176.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -73.81 166.17 23.8 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.005 0.922 . . . . 0.0 111.251 168.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.495 1.118 . . . . 0.0 114.005 177.11 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 p90 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.12 165.26 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 126.959 2.104 . . . . 0.0 108.721 -177.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -59.58 103.82 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 O-C-N 120.717 -1.239 . . . . 0.0 110.378 165.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -162.32 169.83 19.92 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.945 1.298 . . . . 0.0 110.555 -166.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.0 69.56 3.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.438 1.095 . . . . 0.0 112.525 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.21 134.9 57.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.128 1.371 . . . . 0.0 111.532 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 178.67 158.02 0.51 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.686 1.994 . . . . 0.0 111.941 168.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.74 63.62 4.03 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.395 1.474 . . . . 0.0 116.626 161.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -113.17 15.32 19.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.414 2.686 . . . . 0.0 112.741 3.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -46.06 -33.97 3.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.86 2.064 . . . . 0.0 114.301 -171.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -45.17 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.948 2.099 . . . . 0.0 112.547 172.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.02 -39.9 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.849 1.26 . . . . 0.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.92 -45.12 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 110.792 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.86 80.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.353 1.061 . . . . 0.0 111.698 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -57.97 -42.53 85.23 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.56 175.315 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -61.36 -43.1 99.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.421 1.009 . . . . 0.0 112.376 173.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.06 -35.15 79.21 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.45 -0.781 . . . . 0.0 112.685 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.61 -52.5 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.543 1.137 . . . . 0.0 111.778 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -79.18 -22.53 44.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.419 1.487 . . . . 0.0 114.273 -171.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.57 -165.37 42.4 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.181 1.848 . . . . 0.0 113.868 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -57.18 -17.35 10.82 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.999 1.719 . . . . 0.0 113.763 177.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -60.62 -35.63 76.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.82 1.648 . . . . 0.0 112.865 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.15 147.93 7.53 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.466 1.508 . . . . 0.0 113.495 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.73 163.31 12.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.935 1.694 . . . . 0.0 112.691 172.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -85.27 -15.45 43.4 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.25 -42.5 88.48 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -3.98 86.53 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.427 0 C-N-CA 129.269 3.028 . . . . 0.0 114.289 -176.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--N 1.353 0.766 0 C-N-CA 124.073 3.182 . . . . 0.0 112.378 -166.533 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.74 -25.86 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -176.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.03 -13.51 61.62 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.812 0.845 . . . . 0.0 112.342 176.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -100.83 -56.9 2.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.405 1.082 . . . . 0.0 110.401 172.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.88 -26.39 57.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.1 m -91.23 98.61 11.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 109.988 164.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -119.43 109.8 16.18 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.241 3.416 . . . . 0.0 109.611 -7.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -163.39 155.53 17.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.648 1.579 . . . . 0.0 110.66 175.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.2 123.98 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.955 -175.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.98 135.4 49.86 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.913 1.285 . . . . 0.0 110.837 174.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.9 m -133.52 161.34 34.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.187 0.995 . . . . 0.0 113.245 -168.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.67 -43.51 26.43 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -172.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -72.84 -23.78 60.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.22 -49.94 10.17 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.612 1.165 . . . . 0.0 108.608 170.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -29.48 66.68 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.683 1.593 . . . . 0.0 113.222 -178.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 23.5 tt0 -61.01 -27.17 68.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.358 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.25 -16.33 63.93 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.171 -0.956 . . . . 0.0 113.571 176.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -103.79 2.84 33.33 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.741 1.216 . . . . 0.0 112.268 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -69.77 147.72 50.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.591 0.756 . . . . 0.0 111.894 174.676 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.549 0.739 . . . . 0.0 111.946 178.74 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.51 151.77 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.945 1.698 . . . . 0.0 109.622 179.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -55.89 111.93 1.05 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.019 1.328 . . . . 0.0 110.854 174.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -162.26 175.7 11.36 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.338 1.055 . . . . 0.0 111.384 -169.098 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -76.44 70.76 3.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.142 1.377 . . . . 0.0 111.919 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.99 114.1 1.97 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.984 1.314 . . . . 0.0 112.273 -170.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -170.13 145.23 2.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.395 0.678 . . . . 0.0 111.739 -162.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.3 -98.98 0.68 Allowed Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.397 0.999 . . . . 0.0 112.787 170.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -77.25 18.39 0.4 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.287 1.835 . . . . 0.0 113.453 172.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 168.76 25.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 128.256 2.622 . . . . 0.0 112.162 179.143 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.7 tp 111.97 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.69 1 C-N-CA 132.909 4.484 . . . . 0.0 112.012 175.436 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.12 -37.41 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.033 0.933 . . . . 0.0 109.758 172.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -60.98 -52.98 62.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.256 3.422 . . . . 0.0 110.388 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -51.05 68.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.853 1.261 . . . . 0.0 111.555 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.89 -48.07 70.46 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.095 0.558 . . . . 0.0 110.259 174.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.14 -40.24 84.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.449 1.022 . . . . 0.0 113.277 175.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.82 -35.3 78.37 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.075 -1.016 . . . . 0.0 112.813 176.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.17 -54.6 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.69 1.196 . . . . 0.0 111.166 174.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.36 -21.79 48.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.43 1.892 . . . . 0.0 114.683 -170.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.57 -162.73 54.16 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.615 1.102 . . . . 0.0 113.053 -175.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.56 -20.05 59.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.037 1.335 . . . . 0.0 113.194 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -65.3 -27.78 68.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.48 1.112 . . . . 0.0 112.63 173.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -164.45 54.77 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.121 1.343 . . . . 0.0 115.091 170.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -145.14 164.13 32.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.818 2.047 . . . . 0.0 111.745 -173.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -89.17 -9.38 51.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -175.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.16 -46.21 78.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.274 0.943 . . . . 0.0 112.82 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -2.06 83.79 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 C-N-CA 129.221 3.008 . . . . 0.0 114.523 -177.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--N 1.351 0.68 0 C-N-CA 124.057 3.171 . . . . 0.0 112.225 -168.828 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' VAL 0.26 1.9 tp . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 2' ' ' ILE . 12.8 p -77.37 117.65 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 160.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 60.55 98.14 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.586 1.554 . . . . 0.0 108.582 -138.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.16 -39.72 94.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 129.345 3.058 . . . . 0.0 114.826 10.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.6 m -68.97 149.91 48.29 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.383 0.992 . . . . 0.0 112.365 -168.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t 72.31 -35.61 0.33 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.42 2.288 . . . . 0.0 113.497 -177.497 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -71.73 -40.28 69.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.949 1.7 . . . . 0.0 110.109 165.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -140.48 -177.54 5.09 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.71 1.604 . . . . 0.0 111.828 173.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.06 137.07 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.918 1.287 . . . . 0.0 110.557 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.16 144.9 46.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 112.003 162.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -148.08 161.56 41.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.322 2.249 . . . . 0.0 108.956 -172.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.07 -44.29 20.82 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -170.13 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -72.44 -22.88 61.03 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -88.61 -41.25 12.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.372 1.069 . . . . 0.0 110.462 171.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.09 -33.0 71.49 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.386 1.475 . . . . 0.0 113.063 177.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.02 -26.69 64.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.647 1.179 . . . . 0.0 112.919 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.66 -17.62 63.12 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.149 -0.969 . . . . 0.0 113.609 174.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -108.35 7.94 27.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.613 1.565 . . . . 0.0 112.416 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -79.11 142.3 36.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.676 1.19 . . . . 0.0 111.395 175.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 123.854 0.862 . . . . 0.0 112.342 -179.116 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t 76.19 132.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 128.743 2.817 . . . . 0.0 112.151 173.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -58.15 126.2 26.46 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.313 1.045 . . . . 0.0 112.056 173.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -171.2 177.52 3.6 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.764 1.626 . . . . 0.0 109.914 -172.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -75.04 64.8 1.39 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.925 1.29 . . . . 0.0 111.336 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -55.49 122.75 11.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.771 1.628 . . . . 0.0 112.379 -173.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -176.5 3.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.708 1.603 . . . . 0.0 109.643 176.383 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.21 133.39 26.23 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 111.111 173.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -88.68 -14.67 36.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.346 3.058 . . . . 0.0 114.79 -0.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -38.81 10.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.084 1.754 . . . . 0.0 114.616 -174.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.33 77.72 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.684 1.594 . . . . 0.0 111.635 177.116 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.22 -44.97 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.428 1.091 . . . . 0.0 110.45 175.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.34 -45.48 92.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.295 1.038 . . . . 0.0 110.774 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.92 70.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.768 1.227 . . . . 0.0 112.024 176.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.92 -37.76 80.39 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.971 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -65.1 -41.34 95.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.588 1.085 . . . . 0.0 112.503 172.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.26 -38.66 91.0 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.19 0.905 . . . . 0.0 112.251 176.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.66 -52.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.587 1.155 . . . . 0.0 111.608 176.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.16 -20.16 27.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.03 -168.38 50.73 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.988 1.28 . . . . 0.0 114.217 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.96 -17.51 63.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.378 1.471 . . . . 0.0 114.506 -173.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -5.84 45.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 175.565 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 -178.18 51.71 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.926 1.25 . . . . 0.0 114.718 167.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -143.72 159.18 42.96 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 126.123 1.769 . . . . 0.0 112.067 -175.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -85.69 -9.49 57.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -64.37 -40.33 95.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -15.05 95.09 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.908 2.883 . . . . 0.0 113.966 -169.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 C--N 1.353 0.803 0 C-N-CA 123.843 3.029 . . . . 0.0 112.359 -164.337 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.307 0.099 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.09 -19.82 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 1 C-N-CA 132.749 4.42 . . . . 0.0 115.522 1.051 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.63 165.13 12.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.206 1.002 . . . . 0.0 112.383 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 77.48 -58.86 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.48 2.712 . . . . 0.0 109.985 -176.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.13 -38.46 69.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.749 0.82 . . . . 0.0 112.75 -176.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.34 -21.56 53.17 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 167.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -83.18 -37.34 23.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.853 1.661 . . . . 0.0 112.359 -171.379 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -140.92 -167.76 2.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.929 1.292 . . . . 0.0 111.917 -178.028 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.21 123.04 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 120.992 -1.068 . . . . 0.0 110.577 176.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -119.56 148.92 42.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.505 1.522 . . . . 0.0 111.619 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 m -157.55 161.66 38.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.347 1.459 . . . . 0.0 110.786 -165.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.0 -48.76 4.64 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.096 1.758 . . . . 0.0 115.716 -178.243 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -70.21 -25.31 63.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -82.97 -43.45 16.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.302 1.041 . . . . 0.0 109.91 171.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.38 -35.86 72.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.167 1.387 . . . . 0.0 112.616 177.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 25.6 tt0 -60.08 -26.51 66.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.632 0.773 . . . . 0.0 113.054 177.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.9 -20.15 65.63 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.286 -0.884 . . . . 0.0 113.364 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -105.55 8.14 33.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.971 1.308 . . . . 0.0 112.406 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 86.2 m -72.1 151.28 43.17 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.377 -0.827 . . . . 0.0 112.399 175.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 111.656 174.61 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 p90 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 t 77.69 144.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.984 2.514 . . . . 0.0 111.692 174.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -50.88 130.33 25.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.307 1.443 . . . . 0.0 112.96 175.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -169.92 167.46 9.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.98 1.312 . . . . 0.0 111.149 -172.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -73.94 118.74 17.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 164.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 tp -132.39 124.05 27.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.964 0.906 . . . . 0.0 110.506 -158.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -155.77 150.98 26.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.97 -126.12 25.98 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 123.931 0.777 . . . . 0.0 112.216 177.109 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -53.86 -42.96 69.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.016 0.926 . . . . 0.0 112.246 175.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -56.91 -42.33 79.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.135 0.974 . . . . 0.0 112.014 175.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.47 -46.46 69.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.762 0.825 . . . . 0.0 110.779 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.22 -46.65 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 118.591 0.632 . . . . 0.0 112.267 178.04 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.72 -37.96 82.94 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.33 0.514 . . . . 0.0 111.856 -177.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.44 66.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.126 0.971 . . . . 0.0 112.026 175.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -54.34 -49.38 69.87 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 118.82 -0.609 . . . . 0.0 109.949 174.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.13 -40.59 81.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.409 1.004 . . . . 0.0 113.133 174.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.88 -38.92 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.404 1.002 . . . . 0.0 112.519 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.66 -54.44 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.063 1.345 . . . . 0.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -75.38 -23.59 57.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.059 1.744 . . . . 0.0 114.367 -172.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.13 52.29 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.571 1.081 . . . . 0.0 113.125 -177.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.62 -21.0 59.81 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.164 1.385 . . . . 0.0 113.416 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.85 -30.74 71.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.555 1.142 . . . . 0.0 112.564 173.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.41 -162.09 54.46 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.039 1.304 . . . . 0.0 114.508 174.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -149.95 158.48 44.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.505 1.922 . . . . 0.0 111.517 -173.384 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -81.96 -15.03 55.18 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -81.47 100.83 9.53 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.247 1.019 . . . . 0.0 111.782 177.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.7 p -132.34 83.72 54.1 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 124.604 1.162 . . . . 0.0 108.48 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo . . . . . 0 CA--C 1.542 0.913 0 C-N-CA 123.764 2.976 . . . . 0.0 112.244 -164.568 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.31 -36.33 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.1 0.56 . . . . 0.0 110.774 -175.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.51 -54.22 26.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.247 0.619 . . . . 0.0 109.952 178.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.12 -38.05 81.8 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -76.71 -22.66 53.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.015 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -92.44 -22.75 19.44 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.797 1.181 . . . . 0.0 113.163 178.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -97.21 -18.76 19.05 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.911 1.284 . . . . 0.0 113.956 175.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -141.67 176.83 8.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.801 1.24 . . . . 0.0 112.041 175.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.31 133.06 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.804 -1.185 . . . . 0.0 111.16 -177.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 m -117.62 148.3 42.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.897 0.879 . . . . 0.0 111.919 163.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 m -150.01 160.81 43.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.038 1.735 . . . . 0.0 110.217 -168.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -48.45 -44.51 35.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.29 -22.48 61.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -87.0 -42.69 12.91 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.523 1.129 . . . . 0.0 110.166 171.244 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.93 -31.53 71.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.951 1.3 . . . . 0.0 113.33 178.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.9 -26.62 64.47 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.993 0.917 . . . . 0.0 112.855 177.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -64.56 -17.1 63.64 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.401 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -106.53 6.91 30.55 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 0.0 112.645 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.66 141.14 49.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.841 1.257 . . . . 0.0 111.416 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.537 -0.727 . . . . 0.0 111.481 174.989 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.08 157.8 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.111 1.764 . . . . 0.0 110.528 174.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -53.24 129.85 32.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 113.217 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -176.4 -172.72 0.49 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.753 2.421 . . . . 0.0 109.105 -174.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.78 117.51 19.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.541 0.737 . . . . 0.0 110.55 169.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.17 117.91 35.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.748 2.019 . . . . 0.0 110.04 -178.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 29.2 m -131.19 127.23 37.51 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.011 1.324 . . . . 0.0 110.019 -177.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -115.42 7.75 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 123.77 0.7 . . . . 0.0 113.489 171.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.7 p -53.84 -51.08 64.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.562 1.145 . . . . 0.0 112.428 178.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -53.02 -40.8 64.14 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.028 -1.045 . . . . 0.0 113.081 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.27 -46.3 74.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.511 0.724 . . . . 0.0 111.187 176.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.2 t -61.68 -44.63 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.896 0.771 . . . . 0.0 112.149 176.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.04 -46.92 87.01 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.946 1.298 . . . . 0.0 110.982 178.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.52 78.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.777 0.831 . . . . 0.0 112.143 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.66 -41.86 77.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.505 0.722 . . . . 0.0 111.656 176.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.93 -40.73 91.66 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 173.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.32 -35.97 80.52 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.519 1.054 . . . . 0.0 112.384 177.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.6 -56.19 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.441 1.096 . . . . 0.0 111.156 174.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.4 t -77.56 -25.0 49.72 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.8 -158.39 42.8 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.369 1.462 . . . . 0.0 112.88 -176.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.84 -7.88 9.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.162 1.385 . . . . 0.0 114.058 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -58.4 -30.34 66.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.421 1.488 . . . . 0.0 112.869 170.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.23 -176.34 41.26 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.721 1.153 . . . . 0.0 112.815 -173.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -146.31 158.79 43.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.585 1.154 . . . . 0.0 111.727 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -79.06 -13.58 59.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -174.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -81.74 83.26 7.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.325 -0.859 . . . . 0.0 111.565 171.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -113.85 89.29 15.91 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 124.733 1.213 . . . . 0.0 109.742 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo . . . . . 0 C--N 1.352 0.717 0 C-N-CA 123.687 2.925 . . . . 0.0 112.176 -176.521 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.18 -22.54 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.718 1.607 . . . . 0.0 111.991 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.79 -15.48 63.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.267 1.027 . . . . 0.0 112.878 176.245 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.3 -45.81 1.0 Allowed 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.427 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -80.76 -33.12 35.26 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.49 1.495 . . . . 0.0 113.216 -171.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -86.69 106.0 17.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.169 0.988 . . . . 0.0 110.24 167.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -122.61 109.08 13.84 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.37 3.068 . . . . 0.0 107.88 -4.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -162.71 178.75 8.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.349 1.459 . . . . 0.0 111.175 -174.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.83 125.13 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.521 -0.737 . . . . 0.0 109.877 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.86 148.1 52.59 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.453 1.101 . . . . 0.0 110.814 165.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -138.19 164.3 29.53 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.309 1.444 . . . . 0.0 110.99 -168.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.65 -45.42 13.98 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -170.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -72.27 -21.22 61.4 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -88.57 -45.13 10.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.473 1.109 . . . . 0.0 109.907 170.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.33 -31.76 72.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.321 1.448 . . . . 0.0 113.444 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.86 -27.77 66.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.095 0.958 . . . . 0.0 112.911 177.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.04 -17.27 62.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.217 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -107.3 7.59 29.33 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.054 1.342 . . . . 0.0 112.206 175.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.66 142.33 51.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.87 0.868 . . . . 0.0 110.619 171.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -167.893 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.1 t -134.29 147.57 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.583 1.953 . . . . 0.0 108.222 176.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -49.42 124.22 8.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.479 1.112 . . . . 0.0 112.9 178.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -168.45 174.66 6.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.068 2.147 . . . . 0.0 108.828 -172.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -72.28 98.99 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.905 -0.497 . . . . 0.0 111.79 178.231 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.06 162.48 19.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.586 1.154 . . . . 0.0 111.521 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 27.0 t -176.73 160.07 1.89 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.481 2.312 . . . . 0.0 109.573 157.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.64 -126.53 42.49 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 123.961 0.791 . . . . 0.0 113.151 169.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -52.61 -46.79 67.17 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.361 1.064 . . . . 0.0 112.434 176.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -35.0 73.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.575 -1.328 . . . . 0.0 113.047 177.182 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -73.46 -37.87 65.64 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.664 0.786 . . . . 0.0 111.582 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.88 -44.48 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.597 0.759 . . . . 0.0 111.442 169.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.32 -45.95 90.93 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.883 1.273 . . . . 0.0 111.01 177.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.27 69.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.807 0.843 . . . . 0.0 111.524 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.92 -42.82 80.68 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.942 0.497 . . . . 0.0 111.927 176.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.6 -44.4 97.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.641 0.776 . . . . 0.0 112.197 174.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.76 -31.54 69.55 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.311 -0.868 . . . . 0.0 112.778 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.03 -54.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.177 0.991 . . . . 0.0 111.59 172.253 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -73.37 -30.03 63.02 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.483 1.113 . . . . 0.0 113.949 -171.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 -160.02 16.94 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.778 1.656 . . . . 0.0 112.964 -178.006 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.02 -17.6 64.99 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.816 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -69.27 132.94 47.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.812 1.645 . . . . 0.0 111.53 170.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.62 117.45 4.41 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.299 0.952 . . . . 0.0 112.873 -173.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -65.56 160.48 22.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.809 1.244 . . . . 0.0 113.634 172.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -86.28 -9.31 56.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -173.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.14 -40.92 95.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.9 p -20.72 99.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 128.443 2.697 . . . . 0.0 113.751 -167.061 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo . . . . . 0 C--N 1.353 0.768 0 C-N-CA 123.658 2.905 . . . . 0.0 112.545 -164.065 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.12 -31.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.857 1.263 . . . . 0.0 110.849 -177.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.18 -19.63 61.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.404 1.882 . . . . 0.0 113.047 174.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -104.88 -55.24 2.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.812 1.245 . . . . 0.0 110.19 171.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.3 m -63.0 -30.44 71.6 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -172.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.6 -13.46 51.58 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.055 -1.028 . . . . 0.0 113.15 174.65 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.7 m -102.31 -34.59 9.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.601 1.96 . . . . 0.0 111.889 -173.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -145.51 177.67 8.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.817 . . . . 0.0 111.624 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.19 133.09 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.042 -1.036 . . . . 0.0 110.275 177.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.39 127.2 37.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.847 0.832 . . . . 0.0 112.523 166.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.7 m -121.2 174.77 6.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.676 1.591 . . . . 0.0 112.225 -171.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.66 -47.5 3.96 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -176.268 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -70.96 -24.31 62.39 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.71 -45.33 14.58 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.676 1.19 . . . . 0.0 109.206 170.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.84 -32.63 72.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.65 1.58 . . . . 0.0 113.352 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.81 -26.63 64.29 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.774 0.829 . . . . 0.0 112.878 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -64.51 -17.19 63.67 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 176.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -107.7 6.6 27.84 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.124 1.369 . . . . 0.0 112.542 176.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.41 139.0 49.57 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.74 1.216 . . . . 0.0 111.103 175.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 111.451 175.868 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.96 145.21 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.128 1.371 . . . . 0.0 110.916 -177.532 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.2 98.76 1.76 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.878 1.271 . . . . 0.0 110.074 172.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -156.34 -174.75 5.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 -172.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -80.9 70.16 7.64 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.239 1.416 . . . . 0.0 111.663 -177.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.89 121.11 8.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.143 1.377 . . . . 0.0 111.701 -171.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -164.18 -110.72 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.25 107.72 3.58 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.368 1.461 . . . . 0.0 112.185 -178.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -111.51 126.36 54.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.869 2.868 . . . . 0.0 110.152 -10.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -176.49 -159.5 0.06 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.169 2.588 . . . . 0.0 110.76 -167.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp 75.79 -50.05 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.212 3.005 . . . . 0.0 112.214 166.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.0 -47.72 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.119 1.367 . . . . 0.0 110.841 167.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.87 -37.77 82.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.29 0.636 . . . . 0.0 112.166 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.59 75.79 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.556 -0.715 . . . . 0.0 111.94 172.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.7 -42.12 83.05 Favored 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 123.839 0.856 . . . . 0.0 111.905 176.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -63.43 -43.02 98.65 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.845 0.748 . . . . 0.0 112.458 173.367 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.77 -32.89 72.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.06 0.845 . . . . 0.0 112.519 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -72.33 -56.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 172.319 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.42 -25.57 46.09 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -169.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.12 -158.09 41.8 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.402 1.477 . . . . 0.0 113.047 -176.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.39 -14.04 16.63 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.814 1.646 . . . . 0.0 113.781 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -55.75 -31.14 62.29 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.781 1.632 . . . . 0.0 113.346 173.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.28 -173.66 48.49 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.69 1.138 . . . . 0.0 113.043 -174.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -152.61 161.36 42.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.524 1.13 . . . . 0.0 112.228 -176.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -86.91 -11.64 50.06 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -81.45 82.16 7.34 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.357 0.98 . . . . 0.0 111.209 170.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -113.41 89.3 14.66 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 124.854 1.262 . . . . 0.0 109.069 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.351 0.71 0 C-N-CA 123.655 2.903 . . . . 0.0 111.973 -174.324 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.4 tt -49.41 -41.0 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.999 1.72 . . . . 0.0 114.568 -171.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.28 -28.45 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.398 1.479 . . . . 0.0 111.977 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.39 -15.01 62.35 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.613 1.165 . . . . 0.0 113.073 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -119.18 -46.91 2.5 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.605 1.162 . . . . 0.0 111.645 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -100.95 3.27 41.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -164.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.93 -21.24 13.66 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 158.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -93.78 -31.58 14.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.402 1.881 . . . . 0.0 112.476 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -143.83 -158.78 0.91 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.229 2.212 . . . . 0.0 110.076 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.53 126.36 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 124.57 1.148 . . . . 0.0 111.884 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 134.77 34.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.266 0.626 . . . . 0.0 109.605 159.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 162.32 23.36 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.492 1.117 . . . . 0.0 110.282 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -46.77 -43.67 18.38 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -72.87 -23.43 60.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -86.57 -43.51 12.63 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.259 1.024 . . . . 0.0 110.218 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.51 -36.85 69.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.614 1.565 . . . . 0.0 112.634 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.26 -27.5 67.29 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.67 -19.82 65.21 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.157 -0.964 . . . . 0.0 113.554 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -104.76 4.67 32.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.727 1.211 . . . . 0.0 112.025 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.08 146.39 53.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.051 0.94 . . . . 0.0 110.27 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.163 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.59 144.65 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.078 1.751 . . . . 0.0 108.982 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -53.36 121.63 8.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.07 1.348 . . . . 0.0 111.931 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -164.73 178.14 7.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.922 1.689 . . . . 0.0 110.243 -172.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.81 71.74 1.5 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.248 1.019 . . . . 0.0 111.952 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.64 167.2 2.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.277 1.831 . . . . 0.0 111.721 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.9 t -177.41 153.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.801 2.44 . . . . 0.0 110.208 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.61 -123.69 34.05 Favored Glycine 0 N--CA 1.469 0.883 0 C-N-CA 124.046 0.832 . . . . 0.0 113.318 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -54.42 -48.96 71.04 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.71 1.204 . . . . 0.0 112.584 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -35.64 72.39 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.619 -1.301 . . . . 0.0 112.47 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -43.49 67.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.296 1.038 . . . . 0.0 110.501 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.14 -43.0 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 0.0 111.856 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.82 -46.07 86.75 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.827 1.251 . . . . 0.0 111.184 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.32 78.02 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.008 0.923 . . . . 0.0 111.354 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.34 -44.54 80.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.05 -42.25 99.68 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.636 0.653 . . . . 0.0 112.413 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.1 -32.38 71.75 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.393 -0.817 . . . . 0.0 112.654 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.64 -56.48 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.343 1.057 . . . . 0.0 111.571 172.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -74.25 -26.07 60.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.651 1.18 . . . . 0.0 113.957 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.86 -161.6 38.37 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.785 1.659 . . . . 0.0 113.087 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.05 -16.79 20.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.626 1.571 . . . . 0.0 113.662 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -49.25 -46.37 45.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.457 1.903 . . . . 0.0 113.664 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 169.89 46.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.052 0.834 . . . . 0.0 113.571 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -144.05 162.51 36.04 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.73 1.612 . . . . 0.0 112.661 -172.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -88.29 -19.52 26.64 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -79.5 104.76 10.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.542 1.064 . . . . 0.0 111.085 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -135.85 100.0 11.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.54 1.136 . . . . 0.0 108.314 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.85 163.05 29.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.91 3.073 . . . . 0.0 112.198 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -71.74 135.29 46.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.97 0.508 . . . . 0.0 111.886 167.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.048 1.739 . . . . 0.0 113.078 174.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.57 -35.44 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -170.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -28.24 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.165 0.986 . . . . 0.0 111.796 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -78.46 -46.28 20.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.523 0.729 . . . . 0.0 110.791 169.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -159.27 120.35 3.25 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.274 1.03 . . . . 0.0 111.519 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.29 117.01 27.93 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 128.212 2.605 . . . . 0.0 114.287 -10.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.66 134.82 34.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.112 1.765 . . . . 0.0 107.398 155.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 m 65.83 47.26 2.1 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.302 1.841 . . . . 0.0 108.901 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -154.68 157.95 38.88 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.047 1.739 . . . . 0.0 109.775 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.51 -34.15 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.145 0.978 . . . . 0.0 112.511 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.9 t 51.01 63.73 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.336 1.454 . . . . 0.0 113.108 162.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -70.66 163.59 26.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.26 -42.68 31.26 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.86 1.664 . . . . 0.0 115.485 -173.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -72.02 -23.71 61.44 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.439 -0.788 . . . . 0.0 113.052 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -85.78 -39.49 17.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.389 1.076 . . . . 0.0 110.737 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.06 -35.64 71.64 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.561 1.144 . . . . 0.0 112.798 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.1 -26.06 65.92 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.14 -21.32 66.12 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.11 -0.994 . . . . 0.0 113.602 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.6 9.17 31.47 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.098 1.359 . . . . 0.0 112.132 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.73 149.6 38.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.065 0.946 . . . . 0.0 111.74 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.156 0.982 . . . . 0.0 111.583 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.5 p90 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.61 150.47 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.319 1.847 . . . . 0.0 109.095 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -57.97 112.37 1.48 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.76 0.791 . . . . 0.0 111.165 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -174.11 153.51 2.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.605 1.962 . . . . 0.0 107.186 -161.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -65.75 104.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.312 0.96 . . . . 0.0 112.242 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.7 139.62 30.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.563 1.145 . . . . 0.0 111.104 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -164.09 147.24 9.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 109.916 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.06 31.01 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 118.638 0.653 . . . . 0.0 112.108 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -52.93 -53.3 51.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.537 1.135 . . . . 0.0 112.811 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -47.61 -44.75 26.87 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.236 1.414 . . . . 0.0 113.117 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.6 -43.09 66.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.56 1.144 . . . . 0.0 111.36 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.92 -45.42 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.236 1.014 . . . . 0.0 111.965 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.48 -45.21 94.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.449 1.099 . . . . 0.0 111.083 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.58 74.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.754 0.822 . . . . 0.0 111.978 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.87 -44.22 77.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.815 0.846 . . . . 0.0 112.142 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' B' ' 21' ' ' GLU . 48.2 t80 -62.97 -38.55 91.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.888 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.43 -45.47 69.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.852 0.861 . . . . 0.0 112.185 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.55 -50.23 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.286 1.034 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.3 t -68.45 -20.04 64.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.926 0.89 . . . . 0.0 112.835 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.75 4.04 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.819 1.2 . . . . 0.0 113.112 162.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.416 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 31.0 mt-10 76.26 -3.31 2.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.318 2.247 . . . . 0.0 113.299 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -95.91 -13.29 24.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.124 2.17 . . . . 0.0 113.804 -173.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 162.64 27.17 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 125.627 1.584 . . . . 0.0 111.466 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -167.8 169.38 11.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 130.574 3.55 . . . . 0.0 110.738 3.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -76.6 -17.42 59.21 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -83.24 85.2 7.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.116 0.871 . . . . 0.0 111.651 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.1 p -114.44 86.54 12.46 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.291 1.036 . . . . 0.0 109.563 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.43 165.51 32.29 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.288 3.326 . . . . 0.0 111.99 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -79.18 23.02 0.39 Allowed 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 127.303 2.241 . . . . 0.0 112.33 -179.343 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 121.171 0.317 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -86.97 -52.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.348 1.059 . . . . 0.0 113.756 -173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.95 -27.29 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.368 -0.832 . . . . 0.0 112.651 -168.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.02 -15.13 63.53 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -94.8 -57.69 2.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.206 1.002 . . . . 0.0 109.795 173.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.79 -24.15 64.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.67 87.98 2.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.94 1.296 . . . . 0.0 110.042 168.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.5 p -117.8 117.78 30.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 129.72 3.208 . . . . 0.0 111.722 4.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -162.33 164.83 27.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.736 2.014 . . . . 0.0 110.48 168.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.77 -25.38 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -163.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m 26.2 75.92 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.526 2.33 . . . . 0.0 115.08 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -77.04 170.03 17.27 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.14 -43.83 31.64 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -73.05 -22.52 60.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -83.02 -44.77 14.84 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.284 1.433 . . . . 0.0 109.66 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.2 -32.08 72.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.456 1.502 . . . . 0.0 113.58 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.73 -26.07 65.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.311 0.644 . . . . 0.0 112.718 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -63.5 -17.19 62.5 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.73 7.48 28.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.023 1.329 . . . . 0.0 112.611 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.08 139.92 48.68 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.856 1.263 . . . . 0.0 111.299 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 121.549 -0.719 . . . . 0.0 111.489 176.186 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.7 t 74.39 141.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 128.201 2.6 . . . . 0.0 111.653 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.24 109.85 4.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.05 0.94 . . . . 0.0 110.097 173.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -165.37 175.09 9.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.368 1.867 . . . . 0.0 109.7 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.81 128.53 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.261 -0.899 . . . . 0.0 111.433 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 tt -146.51 102.5 3.58 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.116 0.96 . . . . 0.0 110.799 -145.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -121.54 142.85 49.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.34 1.456 . . . . 0.0 112.264 -166.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -115.17 5.35 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 124.531 1.062 . . . . 0.0 114.109 163.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -53.01 -48.01 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.989 0.916 . . . . 0.0 112.097 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -56.94 -38.75 73.35 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.942 -1.099 . . . . 0.0 112.335 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.24 -43.56 81.64 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.889 0.876 . . . . 0.0 111.692 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.42 -46.16 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.431 1.014 . . . . 0.0 111.726 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -61.15 -46.41 90.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.795 1.238 . . . . 0.0 110.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.44 66.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.753 1.221 . . . . 0.0 111.996 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -56.04 -42.1 76.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.24 0.616 . . . . 0.0 111.583 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.4 -42.61 92.42 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.35 -36.14 82.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.73 -53.83 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.157 0.983 . . . . 0.0 111.249 174.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -76.79 -30.04 56.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -171.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.11 -161.4 41.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.047 1.308 . . . . 0.0 112.587 -172.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.4 -11.11 9.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.1 -31.67 71.35 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.15 1.38 . . . . 0.0 112.794 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.58 -171.46 53.22 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.814 1.197 . . . . 0.0 113.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -145.85 155.15 42.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.407 1.083 . . . . 0.0 112.58 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.62 -9.79 59.58 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.73 -39.13 90.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.7 p -19.86 99.04 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.378 2.671 . . . . 0.0 113.864 -167.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.73 147.41 39.88 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 123.653 2.902 . . . . 0.0 111.696 -164.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.51 12.84 28.05 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.551 1.14 . . . . 0.0 113.995 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.146 1.779 . . . . 0.0 112.86 -162.308 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.436 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -47.44 -51.0 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.27 1.428 . . . . 0.0 114.844 -164.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -73.18 -20.77 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.564 0.745 . . . . 0.0 112.954 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.73 -17.37 59.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.037 0.935 . . . . 0.0 111.791 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -106.51 -61.46 1.52 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.558 1.543 . . . . 0.0 109.821 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -66.01 -32.19 73.52 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -77.14 -14.18 59.83 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.846 -1.159 . . . . 0.0 112.367 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 m -104.55 -33.25 8.6 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.705 2.002 . . . . 0.0 111.974 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -144.73 160.56 41.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.808 1.643 . . . . 0.0 111.827 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.8 131.62 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.91 -1.119 . . . . 0.0 110.146 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.21 161.06 35.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.099 0.96 . . . . 0.0 112.555 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -147.55 171.27 15.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.268 1.027 . . . . 0.0 112.654 -163.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.22 -44.18 10.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.486 1.914 . . . . 0.0 115.645 -173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.34 -22.84 61.11 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -86.47 -42.31 13.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.315 1.046 . . . . 0.0 109.971 170.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.6 -32.45 72.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.827 1.251 . . . . 0.0 113.414 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.19 -25.66 64.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.96 0.904 . . . . 0.0 112.921 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.96 -16.67 62.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -109.56 8.35 25.03 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.226 1.41 . . . . 0.0 112.462 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.91 142.66 38.27 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.047 1.339 . . . . 0.0 111.718 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 123.844 0.858 . . . . 0.0 112.251 176.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 CA--C 1.55 0.961 0 CA-C-O 121.49 0.662 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 137.54 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.039 0.936 . . . . 0.0 108.653 162.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -51.7 128.04 22.34 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.26 178.26 2.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.487 2.315 . . . . 0.0 109.192 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.13 68.67 5.16 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.202 1.001 . . . . 0.0 111.923 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -43.52 117.46 1.14 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.434 2.294 . . . . 0.0 112.779 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -135.14 -142.58 0.19 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.978 0.911 . . . . 0.0 110.5 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.38 130.41 9.84 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-N 119.809 1.186 . . . . 0.0 111.181 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -88.34 -7.28 56.94 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.029 2.932 . . . . 0.0 113.926 -3.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -41.94 -40.91 2.32 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.28 2.232 . . . . 0.0 114.974 -170.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.29 -38.26 76.65 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.75 1.22 . . . . 0.0 113.195 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.62 -39.89 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.954 0.797 . . . . 0.0 110.018 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.57 -48.26 75.66 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.86 1.264 . . . . 0.0 110.648 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.49 70.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.81 1.244 . . . . 0.0 112.06 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.01 -39.16 84.83 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.656 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.05 -43.48 98.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.14 0.882 . . . . 0.0 112.474 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -70.13 -34.02 72.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.955 0.798 . . . . 0.0 112.616 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.69 -54.68 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.46 1.104 . . . . 0.0 111.201 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -79.92 -35.45 37.81 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -168.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -169.26 27.86 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.646 1.593 . . . . 0.0 113.833 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.67 -14.41 51.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.52 1.528 . . . . 0.0 114.598 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -66.65 -13.35 61.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.123 1.369 . . . . 0.0 114.239 171.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.11 -167.8 54.47 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.812 1.196 . . . . 0.0 113.922 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -151.77 153.49 34.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.001 1.321 . . . . 0.0 112.285 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -81.91 -10.81 59.17 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.32 -34.29 77.79 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 p -23.68 102.82 0.1 OUTLIER Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 128.049 2.54 . . . . 0.0 113.551 -167.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.73 159.88 34.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.508 2.805 . . . . 0.0 112.369 -161.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -153.76 137.29 15.93 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.043 1.337 . . . . 0.0 111.493 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.115 1.766 . . . . 0.0 112.569 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 CA-C-O 121.242 0.357 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 tt -74.51 -39.45 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.7 t -67.31 -36.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.597 0.759 . . . . 0.0 109.958 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.61 -3.97 7.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.908 1.683 . . . . 0.0 113.563 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -119.27 -60.11 1.77 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.871 1.268 . . . . 0.0 110.537 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 m -74.5 -29.26 61.35 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.06 -22.32 42.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.489 -0.757 . . . . 0.0 112.294 171.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -89.95 -38.13 13.88 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.356 1.863 . . . . 0.0 112.423 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -148.5 -169.73 3.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.25 126.29 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.62 1.168 . . . . 0.0 111.394 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -103.52 144.28 31.61 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.413 1.885 . . . . 0.0 110.914 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -153.26 152.1 30.79 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.9 0.88 . . . . 0.0 112.015 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.94 -43.89 60.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -73.54 -22.34 60.12 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.78 -45.08 13.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.513 1.125 . . . . 0.0 109.784 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -55.75 -35.82 66.61 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.994 1.718 . . . . 0.0 113.198 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.18 -26.64 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -64.39 -16.98 63.31 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -109.19 9.84 25.95 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.32 1.448 . . . . 0.0 111.727 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.19 155.35 36.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.735 0.814 . . . . 0.0 110.911 166.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--O 1.24 0.605 0 O-C-N 121.34 -0.85 . . . . 0.0 112.176 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t 65.3 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.935 2.094 . . . . 0.0 110.574 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.23 110.82 5.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.125 1.77 . . . . 0.0 109.174 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -167.24 169.49 12.5 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.85 1.26 . . . . 0.0 111.323 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -66.08 133.62 51.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 110.635 169.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -151.75 120.49 6.55 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.474 -0.766 . . . . 0.0 110.755 -160.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -155.06 146.31 22.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.21 -0.932 . . . . 0.0 113.049 -166.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -127.09 29.74 Favored Glycine 0 N--CA 1.471 1.017 0 C-N-CA 124.181 0.895 . . . . 0.0 112.294 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.27 -48.29 68.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.096 0.958 . . . . 0.0 112.177 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -55.22 -36.69 66.25 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.959 -1.088 . . . . 0.0 112.969 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.46 -37.51 60.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.03 0.932 . . . . 0.0 112.021 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.12 -45.92 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.821 0.848 . . . . 0.0 111.297 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.98 -44.06 97.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.003 1.321 . . . . 0.0 111.189 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -48.87 70.84 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.008 0.923 . . . . 0.0 112.453 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.28 -41.32 84.11 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.354 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.17 -41.41 96.73 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.783 0.72 . . . . 0.0 112.253 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.88 -42.96 89.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.731 0.812 . . . . 0.0 112.136 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.16 -50.44 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.648 1.179 . . . . 0.0 111.686 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -78.34 -33.72 48.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.948 1.299 . . . . 0.0 114.051 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.52 -171.04 27.43 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.201 1.381 . . . . 0.0 112.648 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -83.09 35.3 0.48 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.518 1.527 . . . . 0.0 113.392 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -64.89 -53.14 51.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.735 1.214 . . . . 0.0 114.22 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.53 168.43 21.73 Favored Glycine 0 N--CA 1.475 1.273 1 C-N-CA 131.249 4.261 . . . . 0.0 112.368 -9.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -59.77 160.78 7.04 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -86.7 -9.37 56.1 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.51 -39.32 93.56 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -20.93 100.13 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.304 0 C-N-CA 128.414 2.685 . . . . 0.0 113.727 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.61 -18.64 13.48 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 123.453 2.769 . . . . 0.0 113.795 -162.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -68.04 113.8 6.03 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.697 0.799 . . . . 0.0 111.896 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.971 1.709 . . . . 0.0 113.211 175.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 112.151 -0.379 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -81.32 -49.44 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.613 1.165 . . . . 0.0 114.065 -171.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.1 -20.38 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 118.943 0.792 . . . . 0.0 112.522 -168.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.12 -21.55 66.81 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.806 1.242 . . . . 0.0 112.595 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.1 -57.87 2.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.751 0.705 . . . . 0.0 109.259 159.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.7 m -77.92 47.6 0.65 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.049 1.34 . . . . 0.0 114.568 -170.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -155.8 -34.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 158.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -73.23 -36.87 66.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.423 2.289 . . . . 0.0 112.745 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -151.26 179.63 8.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.08 1.352 . . . . 0.0 112.246 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.81 134.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.788 1.235 . . . . 0.0 112.045 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.3 m -119.97 156.46 30.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.815 1.246 . . . . 0.0 111.187 160.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -146.78 155.49 42.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.78 1.232 . . . . 0.0 110.119 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.39 -43.05 61.81 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -73.55 -23.81 60.03 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.39 -44.34 16.23 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.852 1.261 . . . . 0.0 109.629 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.51 -29.75 70.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.271 1.429 . . . . 0.0 113.175 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 28.6 tt0 -58.71 -26.98 64.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -63.94 -16.25 61.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.48 5.84 29.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 112.818 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 83.9 m -72.09 149.66 44.6 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.448 -0.782 . . . . 0.0 112.166 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.566 0.746 . . . . 0.0 111.782 176.5 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.24 151.24 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.179 1.392 . . . . 0.0 109.508 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -46.74 121.99 3.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.439 1.496 . . . . 0.0 111.833 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.43 172.66 16.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.981 1.312 . . . . 0.0 110.737 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.62 -34.49 69.87 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt 58.14 -167.6 0.14 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.076 1.75 . . . . 0.0 111.033 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t 179.31 -168.16 0.09 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 129.384 3.074 . . . . 0.0 109.052 165.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.84 134.95 13.9 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.827 -1.171 . . . . 0.0 110.663 165.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m -87.52 -9.65 53.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.84 2.856 . . . . 0.0 114.342 -0.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -42.32 -38.54 1.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.382 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.82 -32.87 71.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.389 1.876 . . . . 0.0 113.332 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.95 -40.42 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.195 0.998 . . . . 0.0 110.585 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.96 -43.91 74.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.148 . . . . 0.0 110.671 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.46 64.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.402 1.081 . . . . 0.0 111.087 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.3 mt -55.02 -48.09 73.84 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.802 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -57.72 -41.51 81.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.144 1.338 . . . . 0.0 113.046 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.82 -31.01 68.67 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.353 -0.842 . . . . 0.0 112.607 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.85 -55.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.665 1.186 . . . . 0.0 111.203 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -76.17 -23.94 54.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.625 1.97 . . . . 0.0 114.782 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -163.83 54.66 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.532 1.063 . . . . 0.0 112.618 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -7.96 15.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -63.04 -31.93 73.18 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.098 0.959 . . . . 0.0 111.953 167.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.34 -166.29 53.53 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.214 1.387 . . . . 0.0 114.295 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -149.95 159.66 44.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.41 1.884 . . . . 0.0 111.911 -174.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -89.2 -8.35 53.75 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.54 -38.97 93.14 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -15.83 95.48 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.289 0 C-N-CA 129.0 2.92 . . . . 0.0 113.742 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.73 156.51 44.23 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.746 2.964 . . . . 0.0 112.32 -163.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -70.96 123.22 21.53 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.566 0.746 . . . . 0.0 111.414 174.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.897 1.679 . . . . 0.0 113.174 177.226 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 CA-C-O 120.984 0.213 . . . . 0.0 112.836 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -65.24 -22.99 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 126.181 1.792 . . . . 0.0 114.42 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.4 -0.59 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.635 -1.291 . . . . 0.0 113.196 171.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -118.94 -67.07 1.01 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.062 1.745 . . . . 0.0 109.708 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.0 125.22 24.23 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.405 -0.81 . . . . 0.0 109.556 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.3 m 75.58 -15.48 0.68 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.998 2.119 . . . . 0.0 114.062 -172.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -63.62 1.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.796 1.238 . . . . 0.0 110.862 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -99.42 15.86 25.02 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.352 1.861 . . . . 0.0 112.66 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -148.54 168.24 23.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.802 1.641 . . . . 0.0 110.234 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -85.78 134.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.363 1.065 . . . . 0.0 111.608 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.2 m -137.93 156.16 48.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.821 1.248 . . . . 0.0 113.118 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 m -115.45 178.67 4.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.236 1.814 . . . . 0.0 111.96 169.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -50.42 -42.72 54.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.53 1.532 . . . . 0.0 115.049 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -72.61 -22.89 60.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.79 -45.15 15.99 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.755 1.222 . . . . 0.0 109.499 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.5 -32.26 72.28 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 113.136 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.39 -25.65 64.46 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -63.15 -16.39 59.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -106.75 6.68 29.85 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.848 1.259 . . . . 0.0 112.318 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -75.71 167.16 22.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.614 0.766 . . . . 0.0 112.44 172.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.301 1.041 . . . . 0.0 112.66 179.664 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.89 157.6 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.693 1.597 . . . . 0.0 111.313 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -57.11 130.17 44.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.999 1.32 . . . . 0.0 113.368 -174.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -177.0 179.48 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.087 2.555 . . . . 0.0 109.018 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -76.03 61.56 1.54 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.55 1.14 . . . . 0.0 111.302 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.22 103.26 3.88 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.412 2.285 . . . . 0.0 109.554 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -136.27 -107.7 0.2 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -158.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.31 111.78 4.32 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.179 1.371 . . . . 0.0 112.716 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -111.59 95.42 5.49 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.006 2.922 . . . . 0.0 109.737 -11.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -138.2 -37.76 0.56 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.778 2.031 . . . . 0.0 111.628 -171.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.5 -38.12 88.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.537 1.135 . . . . 0.0 110.887 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.04 -40.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.002 1.321 . . . . 0.0 111.59 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.55 -40.62 69.9 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.408 1.083 . . . . 0.0 111.163 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.24 76.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.499 1.12 . . . . 0.0 111.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -55.19 -50.29 69.72 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.694 0.798 . . . . 0.0 110.617 173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -55.37 -39.51 70.18 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.432 1.014 . . . . 0.0 113.159 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.47 -40.28 77.2 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.689 0.795 . . . . 0.0 112.81 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.29 -56.61 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.123 1.369 . . . . 0.0 111.389 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.69 -32.0 72.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.622 1.969 . . . . 0.0 112.844 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.89 -47.3 3.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.671 1.605 . . . . 0.0 114.701 167.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -136.62 157.4 46.86 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.124 1.769 . . . . 0.0 110.272 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 65.92 165.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.718 2.407 . . . . 0.0 113.412 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.82 112.01 3.88 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -61.13 158.88 12.9 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.979 0.911 . . . . 0.0 112.434 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -72.54 -17.12 61.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.06 80.93 9.01 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.947 0.88 . . . . 0.0 112.086 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -113.68 87.03 11.4 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 124.968 1.307 . . . . 0.0 109.014 171.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -73.95 161.49 41.16 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.92 3.08 . . . . 0.0 112.159 -173.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -73.71 136.81 43.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 111.917 167.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.853 1.661 . . . . 0.0 112.358 174.696 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 CA-C-O 121.117 0.287 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -70.19 -43.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.382 1.073 . . . . 0.0 113.458 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.85 -19.86 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.141 1.376 . . . . 0.0 112.777 -175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -82.95 -6.61 59.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.31 1.444 . . . . 0.0 113.192 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.85 -41.46 0.4 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -174.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -78.65 -15.36 58.59 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.749 -1.219 . . . . 0.0 113.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.2 m -80.98 -23.16 38.93 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.133 0.973 . . . . 0.0 113.545 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.4 p -111.34 -20.24 12.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.265 1.426 . . . . 0.0 113.677 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -139.92 -179.83 6.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.989 1.316 . . . . 0.0 112.451 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -62.14 133.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.68 1.192 . . . . 0.0 110.173 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 m -125.93 159.14 33.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.245 1.021 . . . . 0.0 111.751 162.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 m -167.65 168.84 12.34 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.941 2.096 . . . . 0.0 108.872 -165.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.28 -49.46 3.68 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -69.47 -22.35 63.63 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -86.36 -44.9 11.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.791 1.236 . . . . 0.0 109.763 170.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.55 -30.5 69.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.427 1.491 . . . . 0.0 113.642 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.98 -27.18 66.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.49 1.116 . . . . 0.0 112.763 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -62.91 -18.34 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -107.44 4.7 26.53 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.055 1.342 . . . . 0.0 112.476 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.24 138.93 47.83 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.472 0.67 0 O-C-N 121.496 -0.753 . . . . 0.0 111.72 178.184 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t 79.75 148.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.503 2.721 . . . . 0.0 112.2 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.41 91.62 0.41 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.418 1.487 . . . . 0.0 109.952 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -155.53 178.18 10.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.228 1.011 . . . . 0.0 112.004 -172.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -71.16 125.52 27.15 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.796 0.838 . . . . 0.0 110.316 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -97.39 -164.31 1.13 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.937 1.295 . . . . 0.0 109.336 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 156.47 158.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 131.672 3.989 . . . . 0.0 111.002 163.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.54 -121.71 26.91 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.036 0.826 . . . . 0.0 113.13 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -71.33 -32.97 69.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.457 1.103 . . . . 0.0 113.224 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -55.43 -35.27 65.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.743 1.217 . . . . 0.0 112.027 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.51 -41.84 90.86 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.561 1.144 . . . . 0.0 111.998 173.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.49 -43.48 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.403 0.681 . . . . 0.0 110.246 -171.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -37.61 75.66 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.305 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -53.0 62.31 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.307 0.958 . . . . 0.0 111.191 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.12 -43.85 74.49 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 111.976 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -64.16 -43.4 95.28 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.599 0.636 . . . . 0.0 112.67 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.87 -37.04 85.93 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.466 1.03 . . . . 0.0 112.317 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.27 -53.98 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 0.0 111.531 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 t -77.6 -29.48 51.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -171.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.54 -157.3 43.96 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.686 1.612 . . . . 0.0 112.66 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.88 -8.68 16.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.101 1.36 . . . . 0.0 114.364 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -30.28 69.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.953 1.301 . . . . 0.0 112.479 171.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.37 -176.25 45.04 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.729 1.157 . . . . 0.0 113.301 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -147.64 157.1 43.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.283 1.033 . . . . 0.0 112.376 -175.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -82.02 -16.69 49.38 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -80.54 91.92 5.85 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.362 -0.836 . . . . 0.0 111.026 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -118.71 89.5 37.79 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.47 1.108 . . . . 0.0 109.297 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.37 176.75 9.33 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.723 3.615 . . . . 0.0 112.01 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -81.56 43.39 0.74 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.223 1.409 . . . . 0.0 112.766 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.368 1.867 . . . . 0.0 112.312 -177.432 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 CA-C-O 121.134 0.297 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -85.16 -50.89 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.194 0.998 . . . . 0.0 113.672 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.74 -29.96 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.916 0.78 . . . . 0.0 112.596 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.15 -16.4 63.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.15 -55.3 2.81 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.585 1.154 . . . . 0.0 109.774 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.29 -30.36 70.2 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.55 -9.74 58.84 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.813 -1.18 . . . . 0.0 112.947 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 m -113.69 -33.6 5.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.725 2.01 . . . . 0.0 112.335 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -143.52 173.08 11.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.185 1.794 . . . . 0.0 112.021 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.46 123.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.946 -1.096 . . . . 0.0 111.663 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 m -108.16 149.33 28.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.311 1.044 . . . . 0.0 111.542 163.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -153.75 159.72 42.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.478 1.511 . . . . 0.0 110.102 -161.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.28 -44.31 33.56 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -73.24 -23.11 60.3 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -82.94 -47.18 12.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.688 1.195 . . . . 0.0 109.404 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.5 -32.31 71.32 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.922 1.689 . . . . 0.0 113.353 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.69 -27.0 66.03 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.529 0.732 . . . . 0.0 112.936 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -64.27 -17.93 64.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.26 8.32 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.081 1.352 . . . . 0.0 112.455 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.85 136.78 47.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.767 1.227 . . . . 0.0 111.424 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.499 -0.751 . . . . 0.0 111.864 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.53 155.57 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.857 1.663 . . . . 0.0 110.827 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -53.55 119.72 5.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.781 1.632 . . . . 0.0 112.092 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.54 -178.37 4.39 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.216 1.407 . . . . 0.0 111.288 -172.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -79.01 57.0 2.08 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.452 1.501 . . . . 0.0 112.237 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -55.76 132.9 50.45 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.242 1.817 . . . . 0.0 112.252 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.6 t -155.51 133.66 11.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.36 -0.837 . . . . 0.0 112.134 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.69 -124.42 26.58 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 123.666 0.65 . . . . 0.0 112.206 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -56.0 -40.64 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.791 1.236 . . . . 0.0 112.991 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -56.45 -42.91 78.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.452 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -43.87 77.52 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.72 . . . . 0.0 110.58 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.82 -49.29 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.778 0.831 . . . . 0.0 112.077 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.68 -35.04 76.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.556 0.616 . . . . 0.0 111.882 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.68 -50.53 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.653 0.781 . . . . 0.0 111.782 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -55.16 -42.66 73.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.09 0.556 . . . . 0.0 111.492 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -65.4 -42.27 92.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.73 -35.46 80.16 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.797 1.181 . . . . 0.0 112.42 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.19 -54.85 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.921 0.888 . . . . 0.0 111.216 173.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.05 -27.1 48.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -157.93 43.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.267 1.413 . . . . 0.0 112.756 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.14 -10.74 6.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -56.9 -33.62 67.08 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.493 1.517 . . . . 0.0 113.112 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 -170.33 50.23 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.482 1.039 . . . . 0.0 113.085 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -149.99 154.55 38.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.279 1.032 . . . . 0.0 112.732 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -82.23 -9.97 59.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 114.049 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.29 -37.79 88.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -20.27 100.47 0.06 OUTLIER Pre-proline 0 N--CA 1.486 1.358 0 C-N-CA 128.345 2.658 . . . . 0.0 113.824 -167.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.76 161.6 36.31 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.714 2.942 . . . . 0.0 112.526 -163.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -153.74 142.4 20.89 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 111.817 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 125.385 1.474 . . . . 0.0 111.021 166.49 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -55.28 -59.85 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -167.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.2 -30.47 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.52 1.054 . . . . 0.0 111.958 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.68 -34.59 73.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.501 1.121 . . . . 0.0 111.564 171.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -85.13 -57.0 3.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.573 1.149 . . . . 0.0 111.142 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -68.55 -27.57 66.2 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -77.44 -10.0 59.21 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.025 -1.047 . . . . 0.0 112.546 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -114.3 -32.28 6.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.655 1.982 . . . . 0.0 112.422 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -142.95 176.31 9.17 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.864 1.665 . . . . 0.0 112.373 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.05 133.21 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 120.94 -1.1 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -118.82 106.72 12.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.086 0.954 . . . . 0.0 110.733 164.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -94.87 173.23 7.7 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.492 1.517 . . . . 0.0 112.443 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.85 -43.48 59.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -73.09 -22.19 60.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -81.46 -48.49 11.8 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.801 1.241 . . . . 0.0 109.008 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.79 -33.21 73.7 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.484 1.514 . . . . 0.0 113.549 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.23 -26.39 66.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.375 0.67 . . . . 0.0 112.699 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -62.76 -17.65 61.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.87 5.97 26.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.668 1.187 . . . . 0.0 112.521 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -74.74 135.95 41.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.737 1.215 . . . . 0.0 110.905 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 N--CA 1.472 0.634 0 O-C-N 121.464 -0.773 . . . . 0.0 111.595 -179.344 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 p90 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.0 t 80.93 -33.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 128.343 2.657 . . . . 0.0 115.003 158.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m120 105.79 104.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 130.476 3.51 . . . . 0.0 107.223 -170.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -162.34 171.08 17.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.298 1.039 . . . . 0.0 109.462 -157.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -66.0 135.78 55.14 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.812 -0.555 . . . . 0.0 109.848 159.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -139.04 131.39 28.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 110.161 -173.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.8 125.42 7.62 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.833 -0.542 . . . . 0.0 110.952 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.04 -121.04 17.77 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 123.814 0.721 . . . . 0.0 111.939 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -53.02 -50.72 63.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.376 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -50.15 -42.25 50.51 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.852 -1.155 . . . . 0.0 113.314 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.06 -43.58 70.89 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.099 0.96 . . . . 0.0 110.795 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.17 -46.27 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.876 0.87 . . . . 0.0 112.029 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.36 -46.6 89.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.906 1.283 . . . . 0.0 110.8 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.48 78.54 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.674 0.79 . . . . 0.0 112.184 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -56.68 -44.31 81.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.924 0.489 . . . . 0.0 111.603 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.34 -45.01 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.432 0.56 . . . . 0.0 112.394 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.46 -36.22 83.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.414 -0.804 . . . . 0.0 112.517 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.34 -52.87 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.346 1.058 . . . . 0.0 111.351 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.15 -17.95 61.92 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -129.88 9.5 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.467 1.508 . . . . 0.0 112.308 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.67 -2.02 24.37 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.254 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -101.85 152.6 20.71 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.245 1.818 . . . . 0.0 111.495 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.71 -177.9 49.32 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 124.924 1.25 . . . . 0.0 113.654 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -137.89 150.53 47.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.274 1.43 . . . . 0.0 111.824 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -82.82 -8.95 59.54 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -65.08 -35.59 81.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.7 p -20.17 100.45 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 128.333 2.653 . . . . 0.0 113.965 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 158.06 38.9 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 123.731 2.954 . . . . 0.0 112.089 -163.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -83.33 31.58 0.45 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.977 1.311 . . . . 0.0 113.37 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.899 2.08 . . . . 0.0 112.447 -179.411 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.551 -0.219 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.93 -46.12 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.096 0.958 . . . . 0.0 113.561 -173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.57 -31.61 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.64 0.776 . . . . 0.0 110.952 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.11 -3.42 7.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.018 1.727 . . . . 0.0 113.564 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -125.01 -51.3 1.68 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.373 1.469 . . . . 0.0 110.988 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -70.88 -33.93 71.09 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.83 -19.73 22.23 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.174 0.897 . . . . 0.0 112.78 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.9 p -90.95 -27.88 18.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.906 1.682 . . . . 0.0 112.918 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -148.59 -169.01 3.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.404 1.482 . . . . 0.0 111.723 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.49 139.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 120.522 -1.361 . . . . 0.0 110.54 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 p -139.45 161.95 36.22 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 112.173 162.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -148.92 163.57 37.08 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.45 1.1 . . . . 0.0 111.976 -162.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.52 -44.36 17.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -71.91 -23.66 61.51 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.68 -41.07 14.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.257 1.023 . . . . 0.0 110.273 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -60.58 -32.06 71.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.691 1.197 . . . . 0.0 113.078 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 27.1 tt0 -59.27 -26.46 64.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -64.35 -16.85 63.02 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -104.31 4.35 33.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.543 1.137 . . . . 0.0 112.668 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.429 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.0 m -71.22 148.17 47.52 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.398 -0.814 . . . . 0.0 112.183 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 123.357 0.663 . . . . 0.0 111.55 176.272 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.42 144.44 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.418 1.487 . . . . 0.0 110.088 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -54.56 125.03 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 112.658 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -168.76 -176.24 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.478 1.911 . . . . 0.0 109.763 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -77.73 121.12 23.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.582 0.753 . . . . 0.0 110.76 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.51 117.82 32.02 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.545 1.938 . . . . 0.0 110.672 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 140.06 51.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.874 1.27 . . . . 0.0 110.172 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -119.19 13.46 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.054 0.835 . . . . 0.0 113.523 170.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -53.04 -50.52 64.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.379 1.072 . . . . 0.0 112.249 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.91 -42.22 65.16 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.76 -1.213 . . . . 0.0 112.219 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.51 -41.44 76.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.89 0.876 . . . . 0.0 111.718 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.9 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.897 0.879 . . . . 0.0 112.029 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.72 -45.98 84.23 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.0 1.32 . . . . 0.0 111.016 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.82 79.29 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.87 0.868 . . . . 0.0 111.456 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.8 mt -54.88 -49.82 70.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.745 174.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -56.58 -40.99 76.18 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.92 1.236 . . . . 0.0 113.095 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.7 -32.29 70.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.271 -0.893 . . . . 0.0 112.838 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.26 -55.37 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.757 1.223 . . . . 0.0 111.175 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -74.3 -29.57 61.69 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.382 1.873 . . . . 0.0 114.174 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.95 -160.74 48.71 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.796 1.189 . . . . 0.0 112.501 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.2 -12.16 11.84 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -62.16 -34.73 76.96 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.875 1.27 . . . . 0.0 112.17 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.07 -163.65 54.23 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.901 1.239 . . . . 0.0 113.558 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.404 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 21.1 p80 -153.63 160.69 42.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.319 1.848 . . . . 0.0 111.685 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -87.33 -11.47 49.36 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -79.2 84.52 5.15 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.18 0.9 . . . . 0.0 111.059 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -114.73 85.27 11.25 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.096 1.358 . . . . 0.0 108.886 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -70.34 140.69 41.05 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.73 2.953 . . . . 0.0 111.327 -172.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.05 24.44 0.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.822 2.849 . . . . 0.0 113.403 -1.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.364 1.865 . . . . 0.0 113.362 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 tp -68.46 -65.81 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 126.144 1.777 . . . . 0.0 112.658 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.91 -18.02 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.184 0.994 . . . . 0.0 112.669 -171.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.24 -21.7 62.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.989 1.316 . . . . 0.0 112.717 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.52 -26.61 2.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -98.25 17.4 18.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.928 1.24 . . . . 0.0 113.864 173.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -155.38 116.27 3.9 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.13 0.877 . . . . 0.0 112.773 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 p -75.39 127.0 32.15 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.811 2.844 . . . . 0.0 109.931 -15.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -168.55 168.7 10.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.384 1.474 . . . . 0.0 109.739 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -76.56 -42.99 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.52 -61.28 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.443 2.697 . . . . 0.0 114.404 -163.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m 78.96 166.95 0.2 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.109 2.563 . . . . 0.0 113.19 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.84 -45.1 29.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 115.235 -171.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -71.27 -22.91 61.9 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -85.16 -48.29 9.3 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.888 0.875 . . . . 0.0 109.607 170.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.76 -30.73 71.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.767 1.227 . . . . 0.0 113.103 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.95 -27.98 69.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.983 0.913 . . . . 0.0 112.823 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.86 -19.28 63.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.97 3.01 35.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.734 1.214 . . . . 0.0 112.385 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.43 134.39 48.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.016 1.326 . . . . 0.0 111.113 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.472 0.641 0 O-C-N 121.442 -0.786 . . . . 0.0 111.698 -178.29 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.0 p90 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.37 141.39 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.571 1.148 . . . . 0.0 110.009 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.36 40.31 0.1 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.999 1.72 . . . . 0.0 113.688 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -88.48 170.58 10.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.25 1.82 . . . . 0.0 110.881 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -65.81 130.77 44.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.839 -0.538 . . . . 0.0 110.351 161.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 163.01 20.78 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.179 1.392 . . . . 0.0 112.425 -174.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -168.36 159.46 10.58 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.978 2.511 . . . . 0.0 109.534 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.93 -124.0 19.06 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.39 0.995 . . . . 0.0 113.779 167.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -53.17 -48.55 67.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.269 1.028 . . . . 0.0 112.58 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -58.92 -39.25 80.99 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.595 -1.316 . . . . 0.0 112.706 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -66.54 -43.17 85.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.233 0.613 . . . . 0.0 110.861 175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.0 t -60.29 -44.11 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.132 0.973 . . . . 0.0 111.616 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.86 -47.34 85.44 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.744 1.217 . . . . 0.0 110.927 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.9 74.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.5 mt -55.49 -46.09 76.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.028 0.931 . . . . 0.0 111.73 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -62.48 -43.17 99.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.225 0.61 . . . . 0.0 112.399 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.32 -33.5 74.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.728 0.811 . . . . 0.0 112.83 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.28 -53.43 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.879 0.871 . . . . 0.0 111.18 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.58 -39.11 81.11 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -172.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 -134.3 13.36 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.809 1.195 . . . . 0.0 111.399 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.48 156.18 27.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.031 0.933 . . . . 0.0 112.279 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 78.11 -17.04 0.6 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.581 2.752 . . . . 0.0 113.75 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.23 -160.72 53.42 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.025 1.298 . . . . 0.0 114.035 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -133.71 161.78 33.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.511 1.524 . . . . 0.0 112.218 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -83.53 -12.5 56.12 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -80.38 85.97 5.79 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.262 -0.899 . . . . 0.0 111.409 173.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.8 p -115.25 85.87 13.47 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 124.328 1.051 . . . . 0.0 109.092 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.83 157.96 54.01 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 124.065 3.177 . . . . 0.0 111.765 -173.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -77.52 133.77 38.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.163 2.185 . . . . 0.0 112.089 -3.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.96 1.704 . . . . 0.0 112.588 -176.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 3' ' ' VAL 0.336 6.6 tp 45.22 -94.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.509 2.324 . . . . 0.0 113.578 177.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.427 ' H ' HG22 ' A' ' 2' ' ' ILE . 25.9 t -61.72 -30.81 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.874 1.27 . . . . 0.0 111.439 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.63 -17.14 62.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.68 1.192 . . . . 0.0 112.692 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -103.44 -57.18 2.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.659 1.184 . . . . 0.0 110.032 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.43 -24.57 67.22 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -81.56 -17.4 48.5 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -116.82 -20.49 9.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.567 1.547 . . . . 0.0 113.459 -176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 t -143.73 163.68 32.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.24 1.816 . . . . 0.0 110.74 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -82.03 127.18 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 O-C-N 120.754 -1.216 . . . . 0.0 112.707 -165.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.66 146.49 26.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.125 1.37 . . . . 0.0 111.233 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -148.8 163.12 38.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.226 1.81 . . . . 0.0 109.238 -168.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.82 -48.29 4.31 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -173.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -71.12 -24.43 62.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.27 -45.63 13.59 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.628 1.171 . . . . 0.0 109.594 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.85 -33.22 72.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.102 1.761 . . . . 0.0 112.93 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -58.53 -26.5 63.58 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.742 0.817 . . . . 0.0 113.046 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -65.4 -17.73 64.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.945 -1.097 . . . . 0.0 113.863 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -107.51 5.86 27.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.946 1.298 . . . . 0.0 112.546 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.35 141.14 48.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.524 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 123.266 0.626 . . . . 0.0 111.59 173.46 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.36 156.68 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.818 1.647 . . . . 0.0 110.884 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.2 120.52 8.24 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.544 1.537 . . . . 0.0 111.839 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.68 176.31 7.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.796 1.639 . . . . 0.0 110.348 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -77.08 65.07 2.64 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.757 0.823 . . . . 0.0 111.38 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -51.07 122.86 8.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.421 1.888 . . . . 0.0 112.745 -172.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -169.16 162.87 10.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.635 0.774 . . . . 0.0 112.346 -169.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.37 -48.37 2.15 Favored Glycine 0 N--CA 1.477 1.371 0 C-N-CA 126.351 1.929 . . . . 0.0 114.261 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -159.06 -38.93 0.06 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.393 1.877 . . . . 0.0 110.982 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -31.02 32.19 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -36.99 79.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.555 1.142 . . . . 0.0 112.008 174.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.67 -44.21 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 0.0 110.553 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.74 -46.55 89.15 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.229 1.012 . . . . 0.0 110.653 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.53 70.0 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.462 1.105 . . . . 0.0 112.178 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.63 -40.66 84.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.163 0.438 . . . . 0.0 111.942 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.22 -43.57 97.73 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.54 0.609 . . . . 0.0 112.343 173.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.24 -32.97 71.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.556 -0.715 . . . . 0.0 112.836 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.83 -54.83 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.102 0.961 . . . . 0.0 111.115 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.6 -29.31 56.48 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 -164.6 33.22 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.353 1.454 . . . . 0.0 113.28 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.94 -16.89 47.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -77.36 -8.79 58.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.59 -163.78 54.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.776 1.179 . . . . 0.0 114.219 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -149.21 159.5 44.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.113 1.365 . . . . 0.0 112.271 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -82.8 -11.4 58.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.17 -37.03 84.65 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -20.73 99.64 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.399 0 C-N-CA 128.348 2.659 . . . . 0.0 113.783 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.57 157.04 40.54 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.732 2.955 . . . . 0.0 112.312 -164.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -74.11 128.56 35.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.607 0.763 . . . . 0.0 111.289 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.232 1.813 . . . . 0.0 112.638 179.632 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.72 -32.9 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -58.38 -27.03 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.033 1.333 . . . . 0.0 112.974 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.08 -13.92 60.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.056 0.942 . . . . 0.0 112.531 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.18 -65.15 0.98 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.5 1.12 . . . . 0.0 110.255 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -81.48 -7.11 59.54 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -162.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.81 91.63 5.45 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.185 0.994 . . . . 0.0 110.933 166.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -110.92 117.68 34.03 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 130.425 3.49 . . . . 0.0 109.663 -8.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -167.33 160.12 13.18 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.446 1.899 . . . . 0.0 109.831 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -65.97 120.69 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.067 -1.02 . . . . 0.0 111.555 -173.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.49 138.0 38.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.763 1.225 . . . . 0.0 109.175 160.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -140.25 151.37 45.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.296 1.038 . . . . 0.0 111.723 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -45.11 37.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.14 -23.48 61.3 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.2 -45.13 12.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.394 1.078 . . . . 0.0 110.027 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.03 -29.72 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.124 1.77 . . . . 0.0 113.204 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.06 -26.67 68.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -65.86 -17.73 64.85 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.985 -1.072 . . . . 0.0 113.738 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.02 3.74 33.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.029 1.331 . . . . 0.0 112.046 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.48 136.62 54.9 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.998 1.319 . . . . 0.0 110.964 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.5 -0.75 . . . . 0.0 111.716 178.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m 59.5 154.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 130.273 3.429 . . . . 0.0 116.087 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -68.67 110.84 4.46 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.513 1.125 . . . . 0.0 110.038 175.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -161.79 -177.48 5.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.824 1.25 . . . . 0.0 111.39 -174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -76.08 51.48 0.67 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.028 1.731 . . . . 0.0 113.384 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.24 128.1 34.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.125 1.77 . . . . 0.0 110.897 -173.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -144.22 133.46 23.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.052 0.941 . . . . 0.0 111.277 -169.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.8 -119.78 17.63 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.773 0.701 . . . . 0.0 112.432 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p -54.93 -49.37 71.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.552 1.141 . . . . 0.0 112.333 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -52.88 -38.27 61.46 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.045 -1.034 . . . . 0.0 112.866 174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 -46.55 67.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.458 1.103 . . . . 0.0 110.731 178.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.75 -43.23 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.369 1.068 . . . . 0.0 111.933 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -62.84 -46.64 86.99 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.828 1.251 . . . . 0.0 111.098 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -50.48 73.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.078 0.951 . . . . 0.0 111.78 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -54.71 -44.38 73.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.548 0.739 . . . . 0.0 111.782 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.55 -41.74 92.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.44 -37.11 85.93 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.596 1.089 . . . . 0.0 112.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.21 -54.86 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.05 0.94 . . . . 0.0 111.137 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 t -74.47 -30.49 61.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.41 -155.27 41.53 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.677 1.608 . . . . 0.0 112.667 -173.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.33 -18.98 31.45 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.714 1.606 . . . . 0.0 114.254 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.54 70.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.055 1.342 . . . . 0.0 112.799 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.8 -174.9 42.17 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.586 1.088 . . . . 0.0 113.444 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -143.56 159.19 42.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.421 1.088 . . . . 0.0 112.329 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -80.89 -17.91 49.03 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.37 88.79 3.76 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.218 0.917 . . . . 0.0 111.337 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -118.93 87.78 34.53 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.766 1.226 . . . . 0.0 109.285 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -73.53 161.87 41.26 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.838 3.025 . . . . 0.0 112.11 -174.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -154.28 138.02 16.14 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.949 1.299 . . . . 0.0 111.628 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.595 1.958 . . . . 0.0 114.091 175.576 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt -50.52 -48.73 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.972 1.309 . . . . 0.0 114.524 -165.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.53 -25.86 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.451 0.7 . . . . 0.0 112.757 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -82.96 -2.56 55.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.48 1.112 . . . . 0.0 112.671 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.21 -46.86 2.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.232 1.413 . . . . 0.0 111.313 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.3 m -92.29 -27.39 17.63 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.68 -19.89 54.57 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.025 -1.047 . . . . 0.0 112.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.6 p -102.9 -31.73 10.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.114 2.165 . . . . 0.0 113.212 -174.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -140.35 179.05 6.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.325 1.45 . . . . 0.0 112.198 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.45 126.38 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.845 -1.16 . . . . 0.0 111.106 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.78 138.78 35.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.049 1.74 . . . . 0.0 110.947 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -152.65 164.53 37.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.709 1.204 . . . . 0.0 111.275 -172.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.2 -43.96 42.75 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -73.88 -20.83 60.29 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -84.83 -46.88 10.92 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.612 1.165 . . . . 0.0 109.149 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.45 -36.11 75.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.586 1.554 . . . . 0.0 113.709 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.72 -27.24 66.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.452 0.701 . . . . 0.0 112.848 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -61.49 -19.11 61.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -106.71 6.9 30.13 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.938 1.295 . . . . 0.0 112.453 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -70.97 143.9 50.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.94 0.896 . . . . 0.0 111.646 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.171 0.988 . . . . 0.0 112.112 179.421 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.1 p90 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.98 146.8 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.22 1.808 . . . . 0.0 108.973 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.5 127.49 13.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.93 1.292 . . . . 0.0 113.435 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -172.21 174.76 3.88 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.611 1.964 . . . . 0.0 109.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -77.86 58.22 1.85 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.768 1.227 . . . . 0.0 112.559 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.26 132.59 39.14 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.15 152.19 22.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.337 0.655 . . . . 0.0 112.075 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 -130.04 29.64 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.808 0.718 . . . . 0.0 111.68 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -64.53 -32.41 74.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.457 0.703 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -33.65 65.72 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.508 -1.37 . . . . 0.0 112.929 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.17 -34.88 79.04 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.999 0.92 . . . . 0.0 112.985 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.5 -44.24 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 119.401 1.001 . . . . 0.0 109.95 -175.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.69 -35.31 74.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.29 0.636 . . . . 0.0 112.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.81 73.21 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.377 -0.827 . . . . 0.0 111.716 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.27 -42.42 86.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.797 0.839 . . . . 0.0 111.736 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.24 -41.63 93.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.521 0.6 . . . . 0.0 112.423 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.32 -41.85 80.2 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.779 0.718 . . . . 0.0 112.733 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.8 -52.54 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.905 0.882 . . . . 0.0 111.433 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.12 -26.5 61.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.457 1.103 . . . . 0.0 113.383 -174.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.73 -43.45 2.79 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.148 1.833 . . . . 0.0 115.179 167.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -138.22 147.25 43.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.046 1.338 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 65.07 176.93 0.2 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.061 2.144 . . . . 0.0 112.975 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.49 117.13 4.56 Favored Glycine 0 N--CA 1.468 0.829 0 C-N-CA 124.291 0.948 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.89 160.86 22.41 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.456 1.103 . . . . 0.0 112.446 164.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -84.15 -18.27 37.3 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -80.11 104.86 10.96 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.467 1.03 . . . . 0.0 110.892 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -135.84 100.75 10.84 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 124.243 1.017 . . . . 0.0 108.373 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -76.66 153.98 34.5 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.797 2.998 . . . . 0.0 111.646 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -155.02 26.41 0.42 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.621 1.168 . . . . 0.0 113.929 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.966 2.106 . . . . 0.0 112.502 -177.745 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.445 -0.641 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.313 12.0 tt 33.1 -73.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 130.163 3.385 . . . . 0.0 117.474 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.32 -35.38 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.062 1.345 . . . . 0.0 110.836 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -64.79 -15.0 61.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.345 1.058 . . . . 0.0 113.3 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -98.62 -62.29 1.26 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.208 1.003 . . . . 0.0 109.85 168.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -68.82 -24.84 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -166.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -111.77 87.02 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.211 1.404 . . . . 0.0 111.113 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -116.65 118.23 32.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 129.274 3.03 . . . . 0.0 111.25 -0.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -163.61 159.3 21.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.34 165.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.3 119.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.276 -0.89 . . . . 0.0 110.853 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 m -114.87 150.42 35.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.768 1.227 . . . . 0.0 111.567 170.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 m -151.95 159.43 43.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.832 1.253 . . . . 0.0 110.877 -163.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.33 -45.3 45.29 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -71.01 -21.72 62.25 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.91 -43.45 11.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.47 1.108 . . . . 0.0 110.502 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.57 -30.09 71.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.015 1.326 . . . . 0.0 113.507 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.37 -27.03 67.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.777 0.831 . . . . 0.0 112.694 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -62.32 -17.2 58.17 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -104.62 3.0 31.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.619 1.167 . . . . 0.0 112.832 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.06 140.33 54.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.804 1.242 . . . . 0.0 111.132 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.414 -0.804 . . . . 0.0 112.041 175.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 p90 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.45 159.83 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.293 1.037 . . . . 0.0 111.878 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.04 118.89 5.9 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.702 1.201 . . . . 0.0 110.46 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.77 170.51 19.45 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.39 0.676 . . . . 0.0 112.706 -168.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -73.92 135.0 43.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.478 1.111 . . . . 0.0 110.601 169.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.23 130.25 38.79 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.82 0.848 . . . . 0.0 111.687 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -132.91 136.9 46.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.255 1.422 . . . . 0.0 110.315 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.16 -120.99 20.44 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.237 0.923 . . . . 0.0 113.554 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -46.63 64.23 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.018 1.327 . . . . 0.0 112.71 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -38.76 75.05 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.686 -1.259 . . . . 0.0 112.498 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -42.72 70.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.686 1.194 . . . . 0.0 110.574 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.64 -45.0 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.428 1.091 . . . . 0.0 111.904 172.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.46 -44.56 94.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 111.143 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.0 -48.9 79.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.722 0.809 . . . . 0.0 111.416 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.67 -45.26 81.8 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.206 0.603 . . . . 0.0 112.036 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.79 -38.01 80.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.129 0.972 . . . . 0.0 113.008 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.16 -40.26 52.98 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.645 0.778 . . . . 0.0 112.294 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.52 -51.68 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.553 1.141 . . . . 0.0 111.178 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.73 -27.53 68.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.756 0.822 . . . . 0.0 112.518 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.12 1.18 Allowed Glycine 0 C--N 1.342 0.901 0 C-N-CA 125.186 1.374 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.336 10.7 pt-20 48.0 -133.47 1.3 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.931 1.293 . . . . 0.0 111.154 -158.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 66.94 -16.85 0.13 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.498 2.319 . . . . 0.0 115.286 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.88 172.87 49.55 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.274 1.892 . . . . 0.0 113.294 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.78 155.85 35.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.816 1.646 . . . . 0.0 110.489 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -84.51 -12.8 53.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -171.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.76 87.64 5.84 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.135 0.88 . . . . 0.0 111.002 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.5 p -118.14 93.14 44.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 124.843 1.257 . . . . 0.0 109.339 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.58 162.33 38.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 112.137 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -155.59 138.8 15.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.643 1.177 . . . . 0.0 111.698 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.182 1.793 . . . . 0.0 112.692 179.563 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp -52.71 -44.27 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.265 1.426 . . . . 0.0 114.074 -172.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.24 -28.56 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.06 -22.99 55.05 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.897 0.879 . . . . 0.0 111.78 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -87.52 -66.44 0.91 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.434 1.093 . . . . 0.0 109.589 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -29.38 70.38 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -163.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.19 -15.42 63.39 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -124.42 -28.2 3.66 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.032 1.733 . . . . 0.0 112.694 -171.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 m -127.14 156.09 42.32 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.003 2.521 . . . . 0.0 111.208 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.11 134.89 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.171 -0.956 . . . . 0.0 111.841 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.79 -113.61 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.254 1.421 . . . . 0.0 111.685 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m 89.61 148.18 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 128.888 2.875 . . . . 0.0 112.698 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.54 -44.85 66.06 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.31 -22.31 61.95 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -85.76 -48.18 9.05 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.297 1.039 . . . . 0.0 109.608 170.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.62 -31.11 67.79 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.177 1.391 . . . . 0.0 113.402 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.0 -27.46 68.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.744 0.818 . . . . 0.0 112.852 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -16.76 61.59 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -108.05 9.78 28.35 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.158 1.383 . . . . 0.0 112.019 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.45 144.45 48.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.331 1.053 . . . . 0.0 111.443 172.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 124.012 0.925 . . . . 0.0 111.795 177.693 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t 78.28 148.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 128.233 2.613 . . . . 0.0 111.723 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -70.07 92.61 0.75 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.747 1.219 . . . . 0.0 110.297 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -155.85 179.61 9.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.054 0.942 . . . . 0.0 112.754 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -87.53 58.18 4.8 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.159 1.783 . . . . 0.0 112.91 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 137.3 58.17 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.884 -1.135 . . . . 0.0 112.065 -175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -136.16 151.03 49.33 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.215 1.006 . . . . 0.0 111.751 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.78 -125.74 37.48 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.636 0.636 . . . . 0.0 112.987 171.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -54.55 -49.44 70.32 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.235 1.014 . . . . 0.0 112.234 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.88 -35.72 69.26 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.963 -1.086 . . . . 0.0 113.097 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.03 -44.67 72.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.477 0.711 . . . . 0.0 111.363 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.58 -42.84 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.63 0.65 . . . . 0.0 111.669 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.44 -47.82 84.0 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.086 1.354 . . . . 0.0 111.096 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.74 75.1 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.609 0.763 . . . . 0.0 112.201 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.69 -42.32 78.87 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.39 0.676 . . . . 0.0 111.567 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -64.49 -41.47 96.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.474 0.71 . . . . 0.0 112.577 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.59 -40.85 89.1 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.958 0.799 . . . . 0.0 112.046 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.36 -52.46 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.491 1.116 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.72 -31.93 72.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.564 0.746 . . . . 0.0 112.556 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.1 -0.69 58.26 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 126.076 1.798 . . . . 0.0 115.295 169.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -172.87 167.96 5.06 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.332 2.253 . . . . 0.0 108.374 -168.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 72.3 -23.8 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.352 2.261 . . . . 0.0 115.687 161.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.69 14.28 70.72 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.201 1.382 . . . . 0.0 115.777 171.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 45.88 -166.66 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.457 1.903 . . . . 0.0 115.105 -174.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.48 -10.54 13.19 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -88.72 87.74 7.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.758 0.823 . . . . 0.0 110.872 174.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -117.2 85.93 19.97 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 124.791 1.236 . . . . 0.0 110.03 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.81 162.41 39.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.819 3.013 . . . . 0.0 112.113 -176.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -153.77 137.58 16.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.025 1.33 . . . . 0.0 111.312 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.251 1.155 0 C-N-CA 126.125 1.77 . . . . 0.0 110.86 -178.384 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 CA-C-O 121.263 0.368 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.94 -44.02 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -169.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.95 -37.9 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.535 0.734 . . . . 0.0 110.08 -169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.93 -12.9 54.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.078 1.751 . . . . 0.0 113.341 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.86 -64.9 1.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.707 1.203 . . . . 0.0 109.912 170.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 m -75.75 -26.04 57.07 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -164.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.34 -31.08 14.8 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.454 0.57 . . . . 0.0 112.183 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.2 m -77.84 -37.18 49.01 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.397 1.479 . . . . 0.0 112.486 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -139.89 -169.01 2.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.741 1.616 . . . . 0.0 111.05 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.39 127.52 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.828 -1.17 . . . . 0.0 111.444 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -90.31 156.77 18.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 112.08 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -151.99 156.68 40.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.521 0.729 . . . . 0.0 112.034 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -53.82 -43.04 69.05 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -73.05 -27.81 61.96 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -71.93 -49.46 37.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.92 -37.43 84.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.791 1.636 . . . . 0.0 113.665 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -28.01 68.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.89 -14.47 59.8 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -109.4 7.57 25.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.726 1.21 . . . . 0.0 112.962 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.72 140.01 51.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.713 1.205 . . . . 0.0 111.286 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.536 -0.728 . . . . 0.0 111.494 175.174 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t 73.65 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 128.954 2.901 . . . . 0.0 113.438 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.05 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.209 1.804 . . . . 0.0 110.817 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 82.49 159.67 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.193 2.597 . . . . 0.0 113.409 165.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -85.67 39.42 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.681 1.593 . . . . 0.0 112.015 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pp -63.92 133.52 53.41 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.78 1.632 . . . . 0.0 114.108 -167.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.1 m -128.13 157.3 41.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.701 2.0 . . . . 0.0 111.187 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.29 -119.49 13.67 Favored Glycine 0 N--CA 1.474 1.23 0 C-N-CA 123.937 0.779 . . . . 0.0 113.906 165.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -54.88 -53.04 60.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.294 1.037 . . . . 0.0 112.118 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.23 -39.58 60.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.501 1.12 . . . . 0.0 112.079 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.43 -38.24 71.38 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.985 0.914 . . . . 0.0 112.153 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.89 -43.82 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.246 1.019 . . . . 0.0 111.303 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.7 -45.45 92.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.21 0.604 . . . . 0.0 111.343 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.16 70.84 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.987 0.915 . . . . 0.0 111.225 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.91 -45.03 78.8 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.946 0.498 . . . . 0.0 111.96 175.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -62.29 -43.49 98.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.805 0.729 . . . . 0.0 112.543 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.7 -34.45 77.87 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.458 -0.776 . . . . 0.0 112.491 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.63 -52.6 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.807 0.843 . . . . 0.0 111.548 173.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 t -80.0 -25.54 40.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.84 -159.5 43.94 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.466 1.507 . . . . 0.0 112.854 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.18 -7.07 5.1 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -60.66 -29.75 69.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.512 1.525 . . . . 0.0 112.965 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.75 -174.99 52.29 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.809 1.195 . . . . 0.0 113.116 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -153.61 157.84 40.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.443 1.097 . . . . 0.0 112.556 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -90.11 -6.09 55.8 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.13 -38.55 90.99 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.3 p -23.52 103.18 0.1 Allowed Pre-proline 0 N--CA 1.484 1.227 0 C-N-CA 128.12 2.568 . . . . 0.0 113.823 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -75.86 158.02 38.96 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.647 2.898 . . . . 0.0 112.11 -163.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.32 19.72 0.74 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 129.757 3.223 . . . . 0.0 111.832 178.631 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 121.154 0.308 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -87.85 -50.38 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.28 -27.07 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 120.133 1.333 . . . . 0.0 113.455 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.7 -6.37 25.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 172.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.24 -62.13 1.58 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.588 1.555 . . . . 0.0 109.836 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.8 t -78.03 -30.71 50.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.56 -25.47 22.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.887 0.875 . . . . 0.0 112.434 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -84.51 -33.64 23.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.486 1.514 . . . . 0.0 112.568 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -136.8 -176.7 4.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.596 1.159 . . . . 0.0 112.336 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.36 133.23 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.699 1.2 . . . . 0.0 110.554 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -136.05 120.62 18.25 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.007 1.323 . . . . 0.0 111.998 -172.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -130.94 174.88 9.56 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.803 1.241 . . . . 0.0 112.772 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.1 -42.85 14.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -73.3 -22.99 60.22 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.68 -47.11 11.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.676 1.19 . . . . 0.0 109.095 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.47 -34.45 69.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.811 1.644 . . . . 0.0 112.973 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.17 -26.87 65.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.882 0.873 . . . . 0.0 113.198 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -65.48 -18.7 65.52 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.926 -1.109 . . . . 0.0 113.56 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.79 8.63 26.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.197 1.399 . . . . 0.0 112.245 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.74 140.19 45.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.88 1.272 . . . . 0.0 111.419 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.569 0.748 . . . . 0.0 111.626 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.61 173.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.597 1.959 . . . . 0.0 109.328 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -62.01 100.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.684 -1.26 . . . . 0.0 109.136 160.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.01 168.42 27.17 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.999 0.919 . . . . 0.0 111.797 -167.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -74.21 128.15 34.79 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.297 0.639 . . . . 0.0 109.688 164.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.37 126.19 54.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.801 0.84 . . . . 0.0 111.024 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.15 165.2 13.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -172.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.81 -49.48 2.1 Favored Glycine 0 N--CA 1.479 1.502 0 C-N-CA 126.405 1.955 . . . . 0.0 114.516 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.9 t -156.86 -40.88 0.07 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.57 1.948 . . . . 0.0 110.475 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -35.5 20.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.191 1.396 . . . . 0.0 113.71 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -41.23 98.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.411 1.484 . . . . 0.0 112.019 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -69.54 -43.34 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.25 1.02 . . . . 0.0 110.553 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.2 -45.15 93.05 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.43 -49.34 71.87 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.561 1.144 . . . . 0.0 112.097 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.9 mt -57.09 -41.85 79.63 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.668 0.387 . . . . 0.0 111.326 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.61 -39.56 93.94 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 173.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.18 -40.29 94.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.694 1.134 . . . . 0.0 112.056 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.71 -50.68 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.816 1.246 . . . . 0.0 111.329 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.15 -11.7 46.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 144.16 39.65 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.523 1.058 . . . . 0.0 114.15 -166.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.43 10.76 14.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.486 2.714 . . . . 0.0 114.507 0.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -73.88 -17.89 60.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -166.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.74 -171.98 51.42 Favored Glycine 0 N--CA 1.473 1.118 0 C-N-CA 124.682 1.134 . . . . 0.0 113.375 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -152.8 155.91 38.05 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.641 -0.917 . . . . 0.0 113.124 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -83.09 -11.22 58.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.729 1.212 . . . . 0.0 114.029 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.14 -39.17 92.65 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -18.04 98.25 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 128.521 2.728 . . . . 0.0 113.898 -168.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.64 161.46 27.82 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.798 2.999 . . . . 0.0 112.071 -162.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -83.04 27.42 0.55 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.886 1.274 . . . . 0.0 113.435 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.122 2.169 . . . . 0.0 112.153 -179.585 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 111.866 -0.493 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.7 tt -162.38 -69.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 126.534 1.934 . . . . 0.0 110.412 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.98 -25.37 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.798 0.839 . . . . 0.0 111.857 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.44 -17.83 60.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.289 1.436 . . . . 0.0 112.74 171.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -106.06 -52.63 2.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.381 1.472 . . . . 0.0 110.103 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.83 -31.21 70.64 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -72.52 -16.26 61.78 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.126 -0.983 . . . . 0.0 113.579 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -125.43 -13.78 6.53 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.655 1.582 . . . . 0.0 114.073 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -147.1 155.89 42.55 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.052 1.741 . . . . 0.0 110.798 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -79.95 125.81 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 120.509 -1.37 . . . . 0.0 113.213 -162.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.11 95.52 6.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -83.74 168.93 15.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.201 1.0 . . . . 0.0 112.311 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -44.93 -44.61 9.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.956 1.702 . . . . 0.0 115.453 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.93 -23.63 62.29 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -90.06 -37.93 13.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.53 -35.55 72.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.404 1.081 . . . . 0.0 112.425 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.07 -26.19 65.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.944 0.897 . . . . 0.0 112.745 175.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -64.51 -18.58 64.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.059 -1.026 . . . . 0.0 113.354 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.93 7.09 29.82 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.046 1.338 . . . . 0.0 112.597 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -72.39 137.89 46.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.681 1.193 . . . . 0.0 111.235 175.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.614 -0.679 . . . . 0.0 111.883 177.252 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 m 61.39 148.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 130.714 3.606 . . . . 0.0 115.285 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -63.92 129.97 42.19 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.569 -0.707 . . . . 0.0 110.659 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -169.21 171.02 8.29 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.833 1.253 . . . . 0.0 109.938 -168.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.65 58.13 1.35 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.258 1.023 . . . . 0.0 111.286 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.04 133.4 38.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.866 2.066 . . . . 0.0 113.242 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t -155.27 141.94 18.89 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.353 0.661 . . . . 0.0 111.155 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.09 -129.1 45.71 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.711 0.672 . . . . 0.0 112.344 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -53.23 -47.1 69.27 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.617 1.167 . . . . 0.0 112.657 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -40.49 67.51 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.881 -1.137 . . . . 0.0 112.495 178.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -69.59 -41.93 75.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.95 0.9 . . . . 0.0 111.429 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.61 -45.45 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.091 0.86 . . . . 0.0 111.73 174.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.96 -46.84 87.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.54 1.136 . . . . 0.0 110.781 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.09 69.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.296 1.038 . . . . 0.0 111.971 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.68 -43.55 80.55 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.478 0.711 . . . . 0.0 111.57 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.18 -43.82 97.16 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.69 -32.96 73.14 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.423 -0.798 . . . . 0.0 112.631 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.21 -54.27 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.338 1.055 . . . . 0.0 111.219 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.25 -29.11 60.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -158.4 41.4 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.177 1.37 . . . . 0.0 112.607 -172.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.7 -11.32 11.39 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.26 -25.28 65.1 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.555 1.142 . . . . 0.0 113.021 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.68 -170.13 52.96 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.73 1.157 . . . . 0.0 113.767 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -148.1 154.87 40.77 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.391 1.076 . . . . 0.0 112.457 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -81.31 -10.59 59.54 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.642 1.177 . . . . 0.0 114.173 -175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.79 -38.24 88.48 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -20.19 99.92 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.3 2.64 . . . . 0.0 113.9 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.67 160.33 38.05 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.845 3.03 . . . . 0.0 112.138 -164.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -79.43 23.03 0.41 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.273 2.229 . . . . 0.0 112.52 -178.754 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -79.4 -66.0 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 127.98 2.512 . . . . 0.0 113.058 1.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.37 -27.39 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -163.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.26 -6.96 26.66 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.702 1.201 . . . . 0.0 113.25 175.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -120.63 -48.26 2.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.277 1.431 . . . . 0.0 110.556 167.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -79.29 -2.06 39.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -170.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.49 -22.6 11.58 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 163.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -91.8 -24.82 19.28 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.385 1.474 . . . . 0.0 113.367 -173.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -149.65 -172.94 4.27 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.167 1.387 . . . . 0.0 111.674 178.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.8 134.12 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.151 0.98 . . . . 0.0 110.545 177.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 t -140.37 149.19 42.37 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.268 1.027 . . . . 0.0 111.243 174.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -149.11 156.86 42.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.516 -149.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -49.72 -44.61 48.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -72.08 -22.3 61.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.55 -44.81 11.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.435 1.094 . . . . 0.0 110.064 172.021 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.98 -34.29 71.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.502 1.521 . . . . 0.0 113.407 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.96 -27.45 65.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.514 0.726 . . . . 0.0 112.822 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -63.72 -18.26 63.84 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.69 7.4 30.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.847 1.259 . . . . 0.0 112.534 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -67.96 145.2 54.76 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.412 1.085 . . . . 0.0 111.395 174.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.898 0.879 . . . . 0.0 112.682 -176.713 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -138.76 149.25 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.393 1.877 . . . . 0.0 108.874 178.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -42.15 116.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.573 1.949 . . . . 0.0 113.039 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -163.86 -177.09 4.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.753 2.021 . . . . 0.0 109.388 -173.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -78.34 -11.19 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -175.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt 55.16 -153.43 0.32 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.597 2.359 . . . . 0.0 111.508 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t 86.53 -28.72 0.06 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.565 2.346 . . . . 0.0 114.87 157.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.38 69.83 2.24 Favored Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.261 1.41 . . . . 0.0 111.634 176.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m 75.17 -4.79 2.3 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.156 2.582 . . . . 0.0 112.817 -169.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.37 -154.4 0.19 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.733 2.013 . . . . 0.0 112.921 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 76.9 -54.68 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.242 3.017 . . . . 0.0 110.864 170.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.93 -43.29 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.622 1.169 . . . . 0.0 110.365 161.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.61 -45.53 89.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.141 1.376 . . . . 0.0 111.039 175.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.05 71.34 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.832 0.853 . . . . 0.0 111.135 176.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.45 -46.54 76.77 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.614 0.765 . . . . 0.0 111.905 175.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.1 -43.79 95.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.585 0.63 . . . . 0.0 112.468 175.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.91 -36.03 75.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.642 0.777 . . . . 0.0 112.517 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.02 -53.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.204 1.002 . . . . 0.0 111.204 173.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t -71.09 -22.55 62.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.424 1.089 . . . . 0.0 113.746 -174.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.0 3.19 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.199 1.857 . . . . 0.0 114.534 168.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -164.71 158.35 17.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.978 1.311 . . . . 0.0 112.576 -176.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 73.83 4.0 4.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.822 2.449 . . . . 0.0 114.409 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.37 -144.6 19.98 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 125.218 1.389 . . . . 0.0 114.232 169.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -172.78 162.47 4.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.595 1.958 . . . . 0.0 111.702 -172.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -87.88 -8.88 55.22 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.82 -41.96 95.34 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.7 p -11.07 91.71 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 129.185 2.994 . . . . 0.0 114.125 -171.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.57 159.98 42.01 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.836 3.024 . . . . 0.0 112.359 -166.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -153.4 136.45 15.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.943 1.297 . . . . 0.0 111.413 178.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.4 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 125.872 1.669 . . . . 0.0 113.279 178.507 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -55.63 -32.43 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.76 -26.81 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.803 1.641 . . . . 0.0 113.311 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.31 -14.1 60.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.235 1.014 . . . . 0.0 112.806 176.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -109.12 -84.26 0.55 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.692 1.597 . . . . 0.0 108.903 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -56.41 -40.36 74.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -161.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.8 -18.05 62.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -111.66 -30.98 7.13 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.372 1.869 . . . . 0.0 112.086 -173.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -156.33 147.88 22.66 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.803 1.641 . . . . 0.0 111.126 -176.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 mt -68.0 132.35 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.542 -0.724 . . . . 0.0 112.5 -161.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -122.08 163.16 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.319 1.448 . . . . 0.0 111.833 176.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -146.19 174.38 11.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.287 1.435 . . . . 0.0 110.768 -170.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.13 -45.59 8.3 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -72.48 -23.48 61.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -84.13 -47.36 10.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.568 1.147 . . . . 0.0 109.517 171.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.84 -32.47 69.44 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.728 1.611 . . . . 0.0 113.204 179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.0 -26.78 66.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.707 0.803 . . . . 0.0 113.065 177.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -64.67 -17.49 64.12 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.974 -1.079 . . . . 0.0 113.758 177.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.35 5.85 27.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.418 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.04 141.58 49.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.259 1.423 . . . . 0.0 111.297 175.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.472 0.668 0 O-C-N 121.478 -0.763 . . . . 0.0 111.655 177.25 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.4 t -127.22 142.76 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.862 1.665 . . . . 0.0 109.519 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.98 134.35 55.65 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.473 1.109 . . . . 0.0 113.285 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -177.77 179.61 0.87 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.459 2.704 . . . . 0.0 108.332 -173.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.62 58.74 1.84 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.967 0.907 . . . . 0.0 111.927 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 mt -49.23 129.48 18.21 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.51 1.924 . . . . 0.0 111.749 -173.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.22 142.96 22.89 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.267 0.627 . . . . 0.0 112.145 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.95 -123.47 28.4 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.329 0.49 . . . . 0.0 111.944 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -53.01 -53.09 55.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.544 1.138 . . . . 0.0 112.459 177.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -48.1 -43.43 30.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.902 1.281 . . . . 0.0 113.06 173.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.87 -38.37 57.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.822 0.849 . . . . 0.0 112.129 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.84 -42.5 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.986 0.915 . . . . 0.0 111.39 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.76 -47.74 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.723 1.209 . . . . 0.0 110.981 175.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.35 73.81 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.678 0.791 . . . . 0.0 111.554 177.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.33 -43.39 83.32 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.201 0.601 . . . . 0.0 111.956 176.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.53 -44.36 96.55 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.92 0.782 . . . . 0.0 112.432 174.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.63 -31.82 71.25 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.529 0.732 . . . . 0.0 112.609 -178.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.21 -54.65 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.143 0.977 . . . . 0.0 111.362 170.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.2 t -79.28 -34.87 42.12 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -166.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.53 -171.86 31.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.622 1.582 . . . . 0.0 113.68 -174.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.91 -15.11 58.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.507 1.523 . . . . 0.0 114.613 -174.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.2 -16.69 63.8 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.101 1.36 . . . . 0.0 114.057 171.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 -171.23 54.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.999 1.285 . . . . 0.0 114.345 171.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -147.8 159.84 43.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.295 1.438 . . . . 0.0 111.92 -174.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -84.82 -13.74 50.15 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -173.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -80.18 88.99 5.43 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.257 0.935 . . . . 0.0 111.097 171.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -118.44 88.94 35.12 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 124.543 1.137 . . . . 0.0 108.452 174.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.66 161.22 44.53 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.039 3.159 . . . . 0.0 112.252 -169.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -158.82 136.63 10.34 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.88 1.272 . . . . 0.0 111.442 177.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.483 1.188 0 C-N-CA 125.358 1.463 . . . . 0.0 111.026 176.09 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp -49.9 -46.53 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 125.689 1.596 . . . . 0.0 114.695 -164.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.4 -49.62 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.64 -45.56 86.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.253 0.621 . . . . 0.0 111.473 -174.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.73 -21.84 63.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.4 m -104.69 -31.25 9.45 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -100.85 -28.68 12.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.228 1.011 . . . . 0.0 113.322 -174.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -103.82 -44.12 5.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.082 1.353 . . . . 0.0 110.536 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.0 m -97.71 179.89 4.67 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.161 0.984 . . . . 0.0 111.745 163.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.5 mm -98.11 137.91 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.666 1.186 . . . . 0.0 110.23 174.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -126.65 167.48 15.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.722 1.209 . . . . 0.0 112.998 176.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -145.1 167.46 22.67 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.145 1.378 . . . . 0.0 112.603 -174.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -47.58 -45.43 27.25 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.451 1.901 . . . . 0.0 115.457 -173.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.38 -23.21 62.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.324 -0.86 . . . . 0.0 113.252 -176.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.34 -44.32 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.21 1.004 . . . . 0.0 110.156 170.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.48 -30.44 68.54 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.597 1.159 . . . . 0.0 113.468 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.95 -26.17 67.33 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.506 -0.746 . . . . 0.0 112.804 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 177.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.53 5.76 31.71 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 0.0 112.448 178.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.85 139.12 53.05 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.168 1.387 . . . . 0.0 111.442 174.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.758 0.789 . . . . 0.0 111.557 179.046 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.24 150.01 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.115 1.366 . . . . 0.0 109.781 175.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.82 127.72 24.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.388 1.075 . . . . 0.0 112.503 174.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -169.51 166.78 10.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.37 1.868 . . . . 0.0 109.684 -173.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -71.74 118.79 15.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.77 -0.581 . . . . 0.0 110.831 170.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.2 mt -108.02 122.88 47.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.738 1.615 . . . . 0.0 109.843 177.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.4 m -134.97 138.07 43.67 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.689 1.196 . . . . 0.0 110.094 -176.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -121.79 25.25 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.868 0.747 . . . . 0.0 112.932 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -53.52 -38.78 64.08 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.924 1.29 . . . . 0.0 113.419 177.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.6 94.93 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.207 -0.933 . . . . 0.0 111.627 177.095 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -43.36 74.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.377 1.471 . . . . 0.0 110.242 176.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.03 -49.23 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.321 1.049 . . . . 0.0 111.927 174.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.74 -32.52 69.71 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.058 0.844 . . . . 0.0 112.461 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.67 68.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.992 0.815 . . . . 0.0 111.296 171.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.0 mt -54.9 -44.93 74.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.663 0.785 . . . . 0.0 111.432 175.226 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.06 -40.75 98.64 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.23 -39.7 82.23 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.422 1.01 . . . . 0.0 111.82 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.11 -52.11 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.554 1.142 . . . . 0.0 110.851 175.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.32 -34.17 63.39 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -174.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.1 -161.01 39.18 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.004 1.288 . . . . 0.0 112.483 -170.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 -12.64 16.24 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.2 -30.89 70.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.902 1.281 . . . . 0.0 113.175 173.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 -173.19 47.39 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.433 1.016 . . . . 0.0 113.369 -177.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -144.98 158.22 43.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.324 1.05 . . . . 0.0 112.902 -174.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -85.08 -9.73 57.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.756 1.222 . . . . 0.0 114.181 -177.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.72 -37.22 86.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -175.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.3 p -21.61 99.84 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.377 0 C-N-CA 128.332 2.653 . . . . 0.0 113.537 -168.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.2 140.72 25.24 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.231 2.62 . . . . 0.0 111.411 -161.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -151.19 144.18 24.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 128.642 2.777 . . . . 0.0 111.258 -2.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.07 1.748 . . . . 0.0 113.447 179.434 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -53.73 -37.39 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 125.303 1.441 . . . . 0.0 114.059 -172.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.5 t -67.0 -21.01 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.927 1.291 . . . . 0.0 112.158 -178.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.23 -3.39 31.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.663 1.585 . . . . 0.0 112.49 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -133.29 -52.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.158 0.983 . . . . 0.0 112.319 -163.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.23 -45.25 6.58 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.566 1.146 . . . . 0.0 110.729 176.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 137.08 50.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.691 171.384 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p 76.74 7.23 3.26 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 128.682 2.793 . . . . 0.0 113.978 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -138.1 174.77 10.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.261 1.424 . . . . 0.0 111.141 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.23 116.87 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.224 -0.923 . . . . 0.0 109.258 174.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -136.79 95.72 3.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.057 0.943 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -88.34 174.9 7.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.816 1.246 . . . . 0.0 112.627 -177.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.54 -42.61 33.9 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -174.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -74.24 -22.15 59.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -82.72 -47.79 11.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 108.981 171.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.5 -36.54 69.29 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.322 1.849 . . . . 0.0 113.024 178.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.47 -27.24 65.94 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -63.95 -17.34 63.16 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.88 7.69 28.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.875 1.27 . . . . 0.0 112.166 176.285 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -73.81 166.17 23.8 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.005 0.922 . . . . 0.0 111.251 168.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.495 1.118 . . . . 0.0 114.005 177.11 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 p90 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.12 165.26 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 126.959 2.104 . . . . 0.0 108.721 -177.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -59.58 103.82 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 O-C-N 120.717 -1.239 . . . . 0.0 110.378 165.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -162.32 169.83 19.92 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.945 1.298 . . . . 0.0 110.555 -166.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.0 69.56 3.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.438 1.095 . . . . 0.0 112.525 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.21 134.9 57.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.128 1.371 . . . . 0.0 111.532 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 178.67 158.02 0.51 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.686 1.994 . . . . 0.0 111.941 168.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.74 63.62 4.03 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.395 1.474 . . . . 0.0 116.626 161.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -113.17 15.32 19.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.414 2.686 . . . . 0.0 112.741 3.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -46.06 -33.97 3.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.86 2.064 . . . . 0.0 114.301 -171.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -45.17 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.948 2.099 . . . . 0.0 112.547 172.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.02 -39.9 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.849 1.26 . . . . 0.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.92 -45.12 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 110.792 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.86 80.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.353 1.061 . . . . 0.0 111.698 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -57.97 -42.53 85.23 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.56 175.315 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -61.36 -43.1 99.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.421 1.009 . . . . 0.0 112.376 173.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.06 -35.15 79.21 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.45 -0.781 . . . . 0.0 112.685 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.61 -52.5 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.543 1.137 . . . . 0.0 111.778 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -79.18 -22.53 44.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.419 1.487 . . . . 0.0 114.273 -171.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.57 -165.37 42.4 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.181 1.848 . . . . 0.0 113.868 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -57.18 -17.35 10.82 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.999 1.719 . . . . 0.0 113.763 177.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -60.62 -35.63 76.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.82 1.648 . . . . 0.0 112.865 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.15 147.93 7.53 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.466 1.508 . . . . 0.0 113.495 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.73 163.31 12.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.935 1.694 . . . . 0.0 112.691 172.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -85.27 -15.45 43.4 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.25 -42.5 88.48 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -3.98 86.53 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.427 0 C-N-CA 129.269 3.028 . . . . 0.0 114.289 -176.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.42 159.45 46.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.073 3.182 . . . . 0.0 112.378 -166.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -154.36 137.39 15.51 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.941 1.297 . . . . 0.0 111.45 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.174 1.789 . . . . 0.0 112.584 -179.848 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.984 -0.446 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp -48.44 -43.45 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 125.981 1.712 . . . . 0.0 114.583 -171.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.74 -25.86 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -176.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.03 -13.51 61.62 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.812 0.845 . . . . 0.0 112.342 176.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -100.83 -56.9 2.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.405 1.082 . . . . 0.0 110.401 172.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.88 -26.39 57.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.1 m -91.23 98.61 11.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 109.988 164.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -119.43 109.8 16.18 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.241 3.416 . . . . 0.0 109.611 -7.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -163.39 155.53 17.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.648 1.579 . . . . 0.0 110.66 175.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.2 123.98 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.955 -175.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.98 135.4 49.86 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.913 1.285 . . . . 0.0 110.837 174.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.9 m -133.52 161.34 34.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.187 0.995 . . . . 0.0 113.245 -168.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.67 -43.51 26.43 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -172.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -72.84 -23.78 60.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.22 -49.94 10.17 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.612 1.165 . . . . 0.0 108.608 170.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -29.48 66.68 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.683 1.593 . . . . 0.0 113.222 -178.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 23.5 tt0 -61.01 -27.17 68.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.358 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.25 -16.33 63.93 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.171 -0.956 . . . . 0.0 113.571 176.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -103.79 2.84 33.33 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.741 1.216 . . . . 0.0 112.268 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -69.77 147.72 50.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.591 0.756 . . . . 0.0 111.894 174.676 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.549 0.739 . . . . 0.0 111.946 178.74 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.51 151.77 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.945 1.698 . . . . 0.0 109.622 179.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -55.89 111.93 1.05 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.019 1.328 . . . . 0.0 110.854 174.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -162.26 175.7 11.36 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.338 1.055 . . . . 0.0 111.384 -169.098 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -76.44 70.76 3.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.142 1.377 . . . . 0.0 111.919 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.99 114.1 1.97 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.984 1.314 . . . . 0.0 112.273 -170.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -170.13 145.23 2.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.395 0.678 . . . . 0.0 111.739 -162.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.3 -98.98 0.68 Allowed Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.397 0.999 . . . . 0.0 112.787 170.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -77.25 18.39 0.4 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.287 1.835 . . . . 0.0 113.453 172.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 168.76 25.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 128.256 2.622 . . . . 0.0 112.162 179.143 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.7 tp 111.97 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.69 1 C-N-CA 132.909 4.484 . . . . 0.0 112.012 175.436 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.12 -37.41 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.033 0.933 . . . . 0.0 109.758 172.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -60.98 -52.98 62.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.256 3.422 . . . . 0.0 110.388 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -51.05 68.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.853 1.261 . . . . 0.0 111.555 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.89 -48.07 70.46 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.095 0.558 . . . . 0.0 110.259 174.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.14 -40.24 84.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.449 1.022 . . . . 0.0 113.277 175.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.82 -35.3 78.37 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.075 -1.016 . . . . 0.0 112.813 176.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.17 -54.6 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.69 1.196 . . . . 0.0 111.166 174.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.36 -21.79 48.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.43 1.892 . . . . 0.0 114.683 -170.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.57 -162.73 54.16 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.615 1.102 . . . . 0.0 113.053 -175.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.56 -20.05 59.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.037 1.335 . . . . 0.0 113.194 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -65.3 -27.78 68.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.48 1.112 . . . . 0.0 112.63 173.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -164.45 54.77 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.121 1.343 . . . . 0.0 115.091 170.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -145.14 164.13 32.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.818 2.047 . . . . 0.0 111.745 -173.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -89.17 -9.38 51.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -175.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.16 -46.21 78.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.274 0.943 . . . . 0.0 112.82 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -2.06 83.79 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 C-N-CA 129.221 3.008 . . . . 0.0 114.523 -177.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.12 156.89 51.31 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.057 3.171 . . . . 0.0 112.225 -168.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.03 123.08 21.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.478 0.711 . . . . 0.0 111.435 174.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.922 1.689 . . . . 0.0 113.189 178.05 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' VAL 0.26 1.9 tp 179.93 -90.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 129.133 2.973 . . . . 0.0 108.422 179.016 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 2' ' ' ILE . 12.8 p -77.37 117.65 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 160.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 60.55 98.14 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.586 1.554 . . . . 0.0 108.582 -138.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.16 -39.72 94.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 129.345 3.058 . . . . 0.0 114.826 10.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.6 m -68.97 149.91 48.29 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.383 0.992 . . . . 0.0 112.365 -168.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t 72.31 -35.61 0.33 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.42 2.288 . . . . 0.0 113.497 -177.497 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -71.73 -40.28 69.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.949 1.7 . . . . 0.0 110.109 165.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -140.48 -177.54 5.09 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.71 1.604 . . . . 0.0 111.828 173.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.06 137.07 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.918 1.287 . . . . 0.0 110.557 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.16 144.9 46.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 112.003 162.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -148.08 161.56 41.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.322 2.249 . . . . 0.0 108.956 -172.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.07 -44.29 20.82 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -170.13 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -72.44 -22.88 61.03 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -88.61 -41.25 12.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.372 1.069 . . . . 0.0 110.462 171.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.09 -33.0 71.49 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.386 1.475 . . . . 0.0 113.063 177.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.02 -26.69 64.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.647 1.179 . . . . 0.0 112.919 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.66 -17.62 63.12 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.149 -0.969 . . . . 0.0 113.609 174.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -108.35 7.94 27.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.613 1.565 . . . . 0.0 112.416 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -79.11 142.3 36.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.676 1.19 . . . . 0.0 111.395 175.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 123.854 0.862 . . . . 0.0 112.342 -179.116 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t 76.19 132.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 128.743 2.817 . . . . 0.0 112.151 173.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -58.15 126.2 26.46 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.313 1.045 . . . . 0.0 112.056 173.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -171.2 177.52 3.6 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.764 1.626 . . . . 0.0 109.914 -172.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -75.04 64.8 1.39 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.925 1.29 . . . . 0.0 111.336 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -55.49 122.75 11.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.771 1.628 . . . . 0.0 112.379 -173.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -176.5 3.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.708 1.603 . . . . 0.0 109.643 176.383 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.21 133.39 26.23 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 111.111 173.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -88.68 -14.67 36.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.346 3.058 . . . . 0.0 114.79 -0.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -38.81 10.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.084 1.754 . . . . 0.0 114.616 -174.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.33 77.72 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.684 1.594 . . . . 0.0 111.635 177.116 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.22 -44.97 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.428 1.091 . . . . 0.0 110.45 175.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.34 -45.48 92.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.295 1.038 . . . . 0.0 110.774 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.92 70.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.768 1.227 . . . . 0.0 112.024 176.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.92 -37.76 80.39 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.971 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -65.1 -41.34 95.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.588 1.085 . . . . 0.0 112.503 172.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.26 -38.66 91.0 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.19 0.905 . . . . 0.0 112.251 176.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.66 -52.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.587 1.155 . . . . 0.0 111.608 176.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.16 -20.16 27.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.259 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.03 -168.38 50.73 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.988 1.28 . . . . 0.0 114.217 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.96 -17.51 63.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.378 1.471 . . . . 0.0 114.506 -173.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -5.84 45.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 175.565 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 -178.18 51.71 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.926 1.25 . . . . 0.0 114.718 167.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -143.72 159.18 42.96 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 126.123 1.769 . . . . 0.0 112.067 -175.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -85.69 -9.49 57.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -64.37 -40.33 95.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -15.05 95.09 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.908 2.883 . . . . 0.0 113.966 -169.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.74 159.83 41.7 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.843 3.029 . . . . 0.0 112.359 -164.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -153.84 136.26 15.01 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.03 1.332 . . . . 0.0 111.372 178.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.832 1.653 . . . . 0.0 113.367 179.094 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.0 157.7 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.097 175.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.09 -19.82 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 1 C-N-CA 132.749 4.42 . . . . 0.0 115.522 1.051 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.63 165.13 12.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.206 1.002 . . . . 0.0 112.383 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 77.48 -58.86 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.48 2.712 . . . . 0.0 109.985 -176.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.13 -38.46 69.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.749 0.82 . . . . 0.0 112.75 -176.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.34 -21.56 53.17 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 167.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -83.18 -37.34 23.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.853 1.661 . . . . 0.0 112.359 -171.379 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -140.92 -167.76 2.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.929 1.292 . . . . 0.0 111.917 -178.028 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.21 123.04 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 120.992 -1.068 . . . . 0.0 110.577 176.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -119.56 148.92 42.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.505 1.522 . . . . 0.0 111.619 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 m -157.55 161.66 38.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.347 1.459 . . . . 0.0 110.786 -165.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.0 -48.76 4.64 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.096 1.758 . . . . 0.0 115.716 -178.243 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -70.21 -25.31 63.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -82.97 -43.45 16.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.302 1.041 . . . . 0.0 109.91 171.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.38 -35.86 72.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.167 1.387 . . . . 0.0 112.616 177.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 25.6 tt0 -60.08 -26.51 66.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.632 0.773 . . . . 0.0 113.054 177.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.9 -20.15 65.63 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.286 -0.884 . . . . 0.0 113.364 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -105.55 8.14 33.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.971 1.308 . . . . 0.0 112.406 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 86.2 m -72.1 151.28 43.17 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.377 -0.827 . . . . 0.0 112.399 175.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 111.656 174.61 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 p90 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 t 77.69 144.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.984 2.514 . . . . 0.0 111.692 174.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -50.88 130.33 25.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.307 1.443 . . . . 0.0 112.96 175.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -169.92 167.46 9.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.98 1.312 . . . . 0.0 111.149 -172.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -73.94 118.74 17.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 164.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 tp -132.39 124.05 27.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.964 0.906 . . . . 0.0 110.506 -158.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -155.77 150.98 26.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.97 -126.12 25.98 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 123.931 0.777 . . . . 0.0 112.216 177.109 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -53.86 -42.96 69.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.016 0.926 . . . . 0.0 112.246 175.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -56.91 -42.33 79.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.135 0.974 . . . . 0.0 112.014 175.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.47 -46.46 69.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.762 0.825 . . . . 0.0 110.779 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.22 -46.65 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 118.591 0.632 . . . . 0.0 112.267 178.04 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.72 -37.96 82.94 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.33 0.514 . . . . 0.0 111.856 -177.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.44 66.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.126 0.971 . . . . 0.0 112.026 175.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -54.34 -49.38 69.87 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 118.82 -0.609 . . . . 0.0 109.949 174.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.13 -40.59 81.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.409 1.004 . . . . 0.0 113.133 174.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.88 -38.92 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.404 1.002 . . . . 0.0 112.519 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.66 -54.44 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.063 1.345 . . . . 0.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -75.38 -23.59 57.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.059 1.744 . . . . 0.0 114.367 -172.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.13 52.29 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.571 1.081 . . . . 0.0 113.125 -177.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.62 -21.0 59.81 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.164 1.385 . . . . 0.0 113.416 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.85 -30.74 71.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.555 1.142 . . . . 0.0 112.564 173.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.41 -162.09 54.46 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.039 1.304 . . . . 0.0 114.508 174.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -149.95 158.48 44.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.505 1.922 . . . . 0.0 111.517 -173.384 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -81.96 -15.03 55.18 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -81.47 100.83 9.53 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.247 1.019 . . . . 0.0 111.782 177.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.7 p -132.34 83.72 54.1 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 124.604 1.162 . . . . 0.0 108.48 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.47 136.72 40.62 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.764 2.976 . . . . 0.0 112.244 -164.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 119.0 17.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.141 2.177 . . . . 0.0 111.828 -5.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.734 1.614 . . . . 0.0 112.169 -172.322 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.45 -47.33 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 125.24 1.416 . . . . 0.0 113.938 -169.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.31 -36.33 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.1 0.56 . . . . 0.0 110.774 -175.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.51 -54.22 26.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.247 0.619 . . . . 0.0 109.952 178.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.12 -38.05 81.8 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -76.71 -22.66 53.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.015 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -92.44 -22.75 19.44 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.797 1.181 . . . . 0.0 113.163 178.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -97.21 -18.76 19.05 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.911 1.284 . . . . 0.0 113.956 175.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -141.67 176.83 8.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.801 1.24 . . . . 0.0 112.041 175.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.31 133.06 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.804 -1.185 . . . . 0.0 111.16 -177.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 m -117.62 148.3 42.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.897 0.879 . . . . 0.0 111.919 163.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 m -150.01 160.81 43.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.038 1.735 . . . . 0.0 110.217 -168.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -48.45 -44.51 35.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.29 -22.48 61.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -87.0 -42.69 12.91 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.523 1.129 . . . . 0.0 110.166 171.244 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.93 -31.53 71.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.951 1.3 . . . . 0.0 113.33 178.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.9 -26.62 64.47 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.993 0.917 . . . . 0.0 112.855 177.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -64.56 -17.1 63.64 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.401 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -106.53 6.91 30.55 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 0.0 112.645 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.66 141.14 49.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.841 1.257 . . . . 0.0 111.416 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.537 -0.727 . . . . 0.0 111.481 174.989 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.08 157.8 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.111 1.764 . . . . 0.0 110.528 174.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -53.24 129.85 32.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 113.217 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -176.4 -172.72 0.49 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.753 2.421 . . . . 0.0 109.105 -174.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.78 117.51 19.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.541 0.737 . . . . 0.0 110.55 169.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.17 117.91 35.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.748 2.019 . . . . 0.0 110.04 -178.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 29.2 m -131.19 127.23 37.51 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.011 1.324 . . . . 0.0 110.019 -177.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -115.42 7.75 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 123.77 0.7 . . . . 0.0 113.489 171.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.7 p -53.84 -51.08 64.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.562 1.145 . . . . 0.0 112.428 178.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -53.02 -40.8 64.14 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.028 -1.045 . . . . 0.0 113.081 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.27 -46.3 74.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.511 0.724 . . . . 0.0 111.187 176.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.2 t -61.68 -44.63 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.896 0.771 . . . . 0.0 112.149 176.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.04 -46.92 87.01 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.946 1.298 . . . . 0.0 110.982 178.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.52 78.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.777 0.831 . . . . 0.0 112.143 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.66 -41.86 77.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.505 0.722 . . . . 0.0 111.656 176.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.93 -40.73 91.66 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 173.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.32 -35.97 80.52 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.519 1.054 . . . . 0.0 112.384 177.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.6 -56.19 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.441 1.096 . . . . 0.0 111.156 174.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.4 t -77.56 -25.0 49.72 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.8 -158.39 42.8 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.369 1.462 . . . . 0.0 112.88 -176.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.84 -7.88 9.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.162 1.385 . . . . 0.0 114.058 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -58.4 -30.34 66.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.421 1.488 . . . . 0.0 112.869 170.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.23 -176.34 41.26 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.721 1.153 . . . . 0.0 112.815 -173.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -146.31 158.79 43.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.585 1.154 . . . . 0.0 111.727 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -79.06 -13.58 59.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -174.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -81.74 83.26 7.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.325 -0.859 . . . . 0.0 111.565 171.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -113.85 89.29 15.91 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 124.733 1.213 . . . . 0.0 109.742 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.51 159.61 42.73 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.687 2.925 . . . . 0.0 112.176 -176.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -72.73 131.46 42.38 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.133 0.573 . . . . 0.0 112.109 170.576 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.674 1.59 . . . . 0.0 110.854 171.391 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -54.42 -34.94 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 125.296 1.439 . . . . 0.0 114.816 -170.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.18 -22.54 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.718 1.607 . . . . 0.0 111.991 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.79 -15.48 63.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.267 1.027 . . . . 0.0 112.878 176.245 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.3 -45.81 1.0 Allowed 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.427 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -80.76 -33.12 35.26 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.49 1.495 . . . . 0.0 113.216 -171.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -86.69 106.0 17.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.169 0.988 . . . . 0.0 110.24 167.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -122.61 109.08 13.84 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.37 3.068 . . . . 0.0 107.88 -4.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -162.71 178.75 8.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.349 1.459 . . . . 0.0 111.175 -174.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.83 125.13 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.521 -0.737 . . . . 0.0 109.877 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.86 148.1 52.59 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.453 1.101 . . . . 0.0 110.814 165.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -138.19 164.3 29.53 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.309 1.444 . . . . 0.0 110.99 -168.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.65 -45.42 13.98 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -170.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -72.27 -21.22 61.4 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -88.57 -45.13 10.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.473 1.109 . . . . 0.0 109.907 170.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.33 -31.76 72.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.321 1.448 . . . . 0.0 113.444 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.86 -27.77 66.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.095 0.958 . . . . 0.0 112.911 177.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.04 -17.27 62.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.217 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -107.3 7.59 29.33 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.054 1.342 . . . . 0.0 112.206 175.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.66 142.33 51.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.87 0.868 . . . . 0.0 110.619 171.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -167.893 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.1 t -134.29 147.57 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.583 1.953 . . . . 0.0 108.222 176.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -49.42 124.22 8.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.479 1.112 . . . . 0.0 112.9 178.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -168.45 174.66 6.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.068 2.147 . . . . 0.0 108.828 -172.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -72.28 98.99 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.905 -0.497 . . . . 0.0 111.79 178.231 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.06 162.48 19.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.586 1.154 . . . . 0.0 111.521 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 27.0 t -176.73 160.07 1.89 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.481 2.312 . . . . 0.0 109.573 157.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.64 -126.53 42.49 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 123.961 0.791 . . . . 0.0 113.151 169.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -52.61 -46.79 67.17 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.361 1.064 . . . . 0.0 112.434 176.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -35.0 73.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.575 -1.328 . . . . 0.0 113.047 177.182 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -73.46 -37.87 65.64 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.664 0.786 . . . . 0.0 111.582 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.88 -44.48 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.597 0.759 . . . . 0.0 111.442 169.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.32 -45.95 90.93 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.883 1.273 . . . . 0.0 111.01 177.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.27 69.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.807 0.843 . . . . 0.0 111.524 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.92 -42.82 80.68 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.942 0.497 . . . . 0.0 111.927 176.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.6 -44.4 97.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.641 0.776 . . . . 0.0 112.197 174.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.76 -31.54 69.55 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.311 -0.868 . . . . 0.0 112.778 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.03 -54.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.177 0.991 . . . . 0.0 111.59 172.253 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -73.37 -30.03 63.02 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.483 1.113 . . . . 0.0 113.949 -171.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 -160.02 16.94 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.778 1.656 . . . . 0.0 112.964 -178.006 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.02 -17.6 64.99 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.816 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -69.27 132.94 47.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.812 1.645 . . . . 0.0 111.53 170.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.62 117.45 4.41 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.299 0.952 . . . . 0.0 112.873 -173.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -65.56 160.48 22.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.809 1.244 . . . . 0.0 113.634 172.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -86.28 -9.31 56.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -173.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.14 -40.92 95.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.9 p -20.72 99.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 128.443 2.697 . . . . 0.0 113.751 -167.061 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.16 158.24 41.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.658 2.905 . . . . 0.0 112.545 -164.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.52 145.85 36.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.104 0.562 . . . . 0.0 112.461 165.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.293 1.837 . . . . 0.0 112.428 178.575 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -170.95 -50.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 127.088 2.155 . . . . 0.0 111.642 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.12 -31.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.857 1.263 . . . . 0.0 110.849 -177.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.18 -19.63 61.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.404 1.882 . . . . 0.0 113.047 174.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -104.88 -55.24 2.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.812 1.245 . . . . 0.0 110.19 171.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.3 m -63.0 -30.44 71.6 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -172.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.6 -13.46 51.58 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.055 -1.028 . . . . 0.0 113.15 174.65 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.7 m -102.31 -34.59 9.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.601 1.96 . . . . 0.0 111.889 -173.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -145.51 177.67 8.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.817 . . . . 0.0 111.624 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.19 133.09 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.042 -1.036 . . . . 0.0 110.275 177.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.39 127.2 37.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.847 0.832 . . . . 0.0 112.523 166.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.7 m -121.2 174.77 6.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.676 1.591 . . . . 0.0 112.225 -171.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.66 -47.5 3.96 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -176.268 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -70.96 -24.31 62.39 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.71 -45.33 14.58 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.676 1.19 . . . . 0.0 109.206 170.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.84 -32.63 72.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.65 1.58 . . . . 0.0 113.352 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.81 -26.63 64.29 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.774 0.829 . . . . 0.0 112.878 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -64.51 -17.19 63.67 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 176.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -107.7 6.6 27.84 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.124 1.369 . . . . 0.0 112.542 176.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.41 139.0 49.57 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.74 1.216 . . . . 0.0 111.103 175.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 111.451 175.868 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.96 145.21 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.128 1.371 . . . . 0.0 110.916 -177.532 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.2 98.76 1.76 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.878 1.271 . . . . 0.0 110.074 172.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -156.34 -174.75 5.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 -172.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -80.9 70.16 7.64 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.239 1.416 . . . . 0.0 111.663 -177.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.89 121.11 8.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.143 1.377 . . . . 0.0 111.701 -171.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -164.18 -110.72 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.25 107.72 3.58 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.368 1.461 . . . . 0.0 112.185 -178.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -111.51 126.36 54.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.869 2.868 . . . . 0.0 110.152 -10.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -176.49 -159.5 0.06 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.169 2.588 . . . . 0.0 110.76 -167.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp 75.79 -50.05 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.212 3.005 . . . . 0.0 112.214 166.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.0 -47.72 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.119 1.367 . . . . 0.0 110.841 167.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.87 -37.77 82.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.29 0.636 . . . . 0.0 112.166 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.59 75.79 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.556 -0.715 . . . . 0.0 111.94 172.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.7 -42.12 83.05 Favored 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 123.839 0.856 . . . . 0.0 111.905 176.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -63.43 -43.02 98.65 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.845 0.748 . . . . 0.0 112.458 173.367 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.77 -32.89 72.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.06 0.845 . . . . 0.0 112.519 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -72.33 -56.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 172.319 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.42 -25.57 46.09 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -169.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.12 -158.09 41.8 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.402 1.477 . . . . 0.0 113.047 -176.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.39 -14.04 16.63 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.814 1.646 . . . . 0.0 113.781 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -55.75 -31.14 62.29 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.781 1.632 . . . . 0.0 113.346 173.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.28 -173.66 48.49 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.69 1.138 . . . . 0.0 113.043 -174.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -152.61 161.36 42.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.524 1.13 . . . . 0.0 112.228 -176.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -86.91 -11.64 50.06 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -81.45 82.16 7.34 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.357 0.98 . . . . 0.0 111.209 170.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -113.41 89.3 14.66 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 124.854 1.262 . . . . 0.0 109.069 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.18 158.53 48.86 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.655 2.903 . . . . 0.0 111.973 -174.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 119.4 14.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.579 0.752 . . . . 0.0 111.387 176.248 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.921 2.088 . . . . 0.0 114.232 174.534 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.4 tt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.28 -28.45 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.398 1.479 . . . . 0.0 111.977 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.39 -15.01 62.35 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.613 1.165 . . . . 0.0 113.073 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -119.18 -46.91 2.5 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.605 1.162 . . . . 0.0 111.645 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -100.95 3.27 41.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -164.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.93 -21.24 13.66 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 158.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -93.78 -31.58 14.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.402 1.881 . . . . 0.0 112.476 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -143.83 -158.78 0.91 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.229 2.212 . . . . 0.0 110.076 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.53 126.36 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 124.57 1.148 . . . . 0.0 111.884 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 134.77 34.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.266 0.626 . . . . 0.0 109.605 159.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 162.32 23.36 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.492 1.117 . . . . 0.0 110.282 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -46.77 -43.67 18.38 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -72.87 -23.43 60.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -86.57 -43.51 12.63 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.259 1.024 . . . . 0.0 110.218 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.51 -36.85 69.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.614 1.565 . . . . 0.0 112.634 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.26 -27.5 67.29 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.67 -19.82 65.21 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.157 -0.964 . . . . 0.0 113.554 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -104.76 4.67 32.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.727 1.211 . . . . 0.0 112.025 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.08 146.39 53.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.051 0.94 . . . . 0.0 110.27 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.163 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.59 144.65 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.078 1.751 . . . . 0.0 108.982 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -53.36 121.63 8.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.07 1.348 . . . . 0.0 111.931 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -164.73 178.14 7.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.922 1.689 . . . . 0.0 110.243 -172.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.81 71.74 1.5 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.248 1.019 . . . . 0.0 111.952 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.64 167.2 2.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.277 1.831 . . . . 0.0 111.721 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.9 t -177.41 153.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.801 2.44 . . . . 0.0 110.208 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.61 -123.69 34.05 Favored Glycine 0 N--CA 1.469 0.883 0 C-N-CA 124.046 0.832 . . . . 0.0 113.318 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -54.42 -48.96 71.04 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.71 1.204 . . . . 0.0 112.584 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -35.64 72.39 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.619 -1.301 . . . . 0.0 112.47 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -43.49 67.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.296 1.038 . . . . 0.0 110.501 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.14 -43.0 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 0.0 111.856 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.82 -46.07 86.75 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.827 1.251 . . . . 0.0 111.184 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.32 78.02 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.008 0.923 . . . . 0.0 111.354 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.2 mt -56.34 -44.54 80.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 175.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.05 -42.25 99.68 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.636 0.653 . . . . 0.0 112.413 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.1 -32.38 71.75 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.393 -0.817 . . . . 0.0 112.654 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.64 -56.48 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.343 1.057 . . . . 0.0 111.571 172.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -74.25 -26.07 60.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.651 1.18 . . . . 0.0 113.957 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.86 -161.6 38.37 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.785 1.659 . . . . 0.0 113.087 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.05 -16.79 20.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.626 1.571 . . . . 0.0 113.662 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -49.25 -46.37 45.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.457 1.903 . . . . 0.0 113.664 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 169.89 46.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.052 0.834 . . . . 0.0 113.571 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 31.6 p80 -144.05 162.51 36.04 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.73 1.612 . . . . 0.0 112.661 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -88.29 -19.52 26.64 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -79.5 104.76 10.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.542 1.064 . . . . 0.0 111.085 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -135.85 100.0 11.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.54 1.136 . . . . 0.0 108.314 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo . . . . . 0 C--N 1.351 0.702 0 C-N-CA 123.91 3.073 . . . . 0.0 112.198 -170.475 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -28.24 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.165 0.986 . . . . 0.0 111.796 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -78.46 -46.28 20.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.523 0.729 . . . . 0.0 110.791 169.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 20.4 pt20 -159.27 120.35 3.25 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.274 1.03 . . . . 0.0 111.519 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -89.29 117.01 27.93 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 128.212 2.605 . . . . 0.0 114.287 -10.749 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.66 134.82 34.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.112 1.765 . . . . 0.0 107.398 155.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.429 ' H ' ' HB2' ' B' ' 7' ' ' CYS . 6.7 m 65.83 47.26 2.1 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.302 1.841 . . . . 0.0 108.901 -170.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -154.68 157.95 38.88 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.047 1.739 . . . . 0.0 109.775 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.51 -34.15 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.145 0.978 . . . . 0.0 112.511 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.9 t 51.01 63.73 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.336 1.454 . . . . 0.0 113.108 162.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -70.66 163.59 26.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.26 -42.68 31.26 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.86 1.664 . . . . 0.0 115.485 -173.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -72.02 -23.71 61.44 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.439 -0.788 . . . . 0.0 113.052 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -85.78 -39.49 17.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.389 1.076 . . . . 0.0 110.737 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.06 -35.64 71.64 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.561 1.144 . . . . 0.0 112.798 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.1 -26.06 65.92 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.14 -21.32 66.12 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.11 -0.994 . . . . 0.0 113.602 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.6 9.17 31.47 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.098 1.359 . . . . 0.0 112.132 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.73 149.6 38.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.065 0.946 . . . . 0.0 111.74 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.156 0.982 . . . . 0.0 111.583 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.5 p90 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.61 150.47 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.319 1.847 . . . . 0.0 109.095 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -57.97 112.37 1.48 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.76 0.791 . . . . 0.0 111.165 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -174.11 153.51 2.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.605 1.962 . . . . 0.0 107.186 -161.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -65.75 104.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.312 0.96 . . . . 0.0 112.242 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.7 139.62 30.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.563 1.145 . . . . 0.0 111.104 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 8' ' ' THR . 8.3 t -164.09 147.24 9.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 109.916 166.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.06 31.01 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 118.638 0.653 . . . . 0.0 112.108 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -52.93 -53.3 51.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.537 1.135 . . . . 0.0 112.811 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -47.61 -44.75 26.87 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.236 1.414 . . . . 0.0 113.117 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.6 -43.09 66.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.56 1.144 . . . . 0.0 111.36 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.92 -45.42 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.236 1.014 . . . . 0.0 111.965 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.48 -45.21 94.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.449 1.099 . . . . 0.0 111.083 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.58 74.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.754 0.822 . . . . 0.0 111.978 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.87 -44.22 77.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.815 0.846 . . . . 0.0 112.142 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' B' ' 21' ' ' GLU . 48.2 t80 -62.97 -38.55 91.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.888 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.43 -45.47 69.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.852 0.861 . . . . 0.0 112.185 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.55 -50.23 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.286 1.034 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.3 t -68.45 -20.04 64.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.926 0.89 . . . . 0.0 112.835 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.75 4.04 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.819 1.2 . . . . 0.0 113.112 162.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 31.0 mt-10 76.26 -3.31 2.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.318 2.247 . . . . 0.0 113.299 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -95.91 -13.29 24.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.124 2.17 . . . . 0.0 113.804 -173.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 162.64 27.17 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 125.627 1.584 . . . . 0.0 111.466 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -167.8 169.38 11.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 130.574 3.55 . . . . 0.0 110.738 3.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -76.6 -17.42 59.21 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -83.24 85.2 7.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.116 0.871 . . . . 0.0 111.651 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.1 p -114.44 86.54 12.46 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.291 1.036 . . . . 0.0 109.563 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 C--N 1.353 0.786 0 C-N-CA 124.288 3.326 . . . . 0.0 111.99 -176.509 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.95 -27.29 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.368 -0.832 . . . . 0.0 112.651 -168.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.02 -15.13 63.53 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -94.8 -57.69 2.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.206 1.002 . . . . 0.0 109.795 173.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.79 -24.15 64.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.67 87.98 2.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.94 1.296 . . . . 0.0 110.042 168.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.5 p -117.8 117.78 30.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 129.72 3.208 . . . . 0.0 111.722 4.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -162.33 164.83 27.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.736 2.014 . . . . 0.0 110.48 168.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.77 -25.38 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -163.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m 26.2 75.92 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.526 2.33 . . . . 0.0 115.08 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -77.04 170.03 17.27 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.14 -43.83 31.64 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -73.05 -22.52 60.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -83.02 -44.77 14.84 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.284 1.433 . . . . 0.0 109.66 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.2 -32.08 72.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.456 1.502 . . . . 0.0 113.58 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.73 -26.07 65.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.311 0.644 . . . . 0.0 112.718 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -63.5 -17.19 62.5 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 2' ' ' ILE . 7.1 m-85 -107.73 7.48 28.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.023 1.329 . . . . 0.0 112.611 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.08 139.92 48.68 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.856 1.263 . . . . 0.0 111.299 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 121.549 -0.719 . . . . 0.0 111.489 176.186 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.7 t 74.39 141.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 128.201 2.6 . . . . 0.0 111.653 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.24 109.85 4.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.05 0.94 . . . . 0.0 110.097 173.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -165.37 175.09 9.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.368 1.867 . . . . 0.0 109.7 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.81 128.53 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.261 -0.899 . . . . 0.0 111.433 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 tt -146.51 102.5 3.58 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.116 0.96 . . . . 0.0 110.799 -145.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -121.54 142.85 49.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.34 1.456 . . . . 0.0 112.264 -166.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -115.17 5.35 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 124.531 1.062 . . . . 0.0 114.109 163.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -53.01 -48.01 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.989 0.916 . . . . 0.0 112.097 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -56.94 -38.75 73.35 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.942 -1.099 . . . . 0.0 112.335 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.24 -43.56 81.64 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.889 0.876 . . . . 0.0 111.692 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.42 -46.16 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.431 1.014 . . . . 0.0 111.726 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -61.15 -46.41 90.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.795 1.238 . . . . 0.0 110.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.44 66.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.753 1.221 . . . . 0.0 111.996 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -56.04 -42.1 76.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.24 0.616 . . . . 0.0 111.583 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.4 -42.61 92.42 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.35 -36.14 82.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.73 -53.83 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.157 0.983 . . . . 0.0 111.249 174.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -76.79 -30.04 56.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -171.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.11 -161.4 41.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.047 1.308 . . . . 0.0 112.587 -172.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.4 -11.11 9.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.1 -31.67 71.35 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.15 1.38 . . . . 0.0 112.794 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.58 -171.46 53.22 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.814 1.197 . . . . 0.0 113.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -145.85 155.15 42.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.407 1.083 . . . . 0.0 112.58 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.62 -9.79 59.58 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.73 -39.13 90.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.7 p -19.86 99.04 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.378 2.671 . . . . 0.0 113.864 -167.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo . . . . . 0 C--N 1.353 0.777 0 C-N-CA 123.653 2.902 . . . . 0.0 111.696 -164.779 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -73.18 -20.77 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.564 0.745 . . . . 0.0 112.954 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.73 -17.37 59.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.037 0.935 . . . . 0.0 111.791 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -106.51 -61.46 1.52 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.558 1.543 . . . . 0.0 109.821 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -66.01 -32.19 73.52 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -77.14 -14.18 59.83 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.846 -1.159 . . . . 0.0 112.367 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 m -104.55 -33.25 8.6 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.705 2.002 . . . . 0.0 111.974 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -144.73 160.56 41.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.808 1.643 . . . . 0.0 111.827 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.8 131.62 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.91 -1.119 . . . . 0.0 110.146 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.21 161.06 35.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.099 0.96 . . . . 0.0 112.555 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -147.55 171.27 15.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.268 1.027 . . . . 0.0 112.654 -163.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.22 -44.18 10.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.486 1.914 . . . . 0.0 115.645 -173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.34 -22.84 61.11 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -86.47 -42.31 13.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.315 1.046 . . . . 0.0 109.971 170.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.6 -32.45 72.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.827 1.251 . . . . 0.0 113.414 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.19 -25.66 64.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.96 0.904 . . . . 0.0 112.921 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.96 -16.67 62.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -109.56 8.35 25.03 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.226 1.41 . . . . 0.0 112.462 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.91 142.66 38.27 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.047 1.339 . . . . 0.0 111.718 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 123.844 0.858 . . . . 0.0 112.251 176.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 CA--C 1.55 0.961 0 CA-C-O 121.49 0.662 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 137.54 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.039 0.936 . . . . 0.0 108.653 162.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -51.7 128.04 22.34 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.26 178.26 2.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.487 2.315 . . . . 0.0 109.192 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.13 68.67 5.16 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.202 1.001 . . . . 0.0 111.923 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -43.52 117.46 1.14 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.434 2.294 . . . . 0.0 112.779 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -135.14 -142.58 0.19 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.978 0.911 . . . . 0.0 110.5 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.38 130.41 9.84 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-N 119.809 1.186 . . . . 0.0 111.181 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -88.34 -7.28 56.94 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.029 2.932 . . . . 0.0 113.926 -3.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -41.94 -40.91 2.32 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.28 2.232 . . . . 0.0 114.974 -170.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.29 -38.26 76.65 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.75 1.22 . . . . 0.0 113.195 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.62 -39.89 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.954 0.797 . . . . 0.0 110.018 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.57 -48.26 75.66 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.86 1.264 . . . . 0.0 110.648 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.49 70.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.81 1.244 . . . . 0.0 112.06 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.01 -39.16 84.83 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.656 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.05 -43.48 98.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.14 0.882 . . . . 0.0 112.474 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -70.13 -34.02 72.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.955 0.798 . . . . 0.0 112.616 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.69 -54.68 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.46 1.104 . . . . 0.0 111.201 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -79.92 -35.45 37.81 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -168.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -169.26 27.86 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.646 1.593 . . . . 0.0 113.833 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.67 -14.41 51.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.52 1.528 . . . . 0.0 114.598 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -66.65 -13.35 61.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.123 1.369 . . . . 0.0 114.239 171.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.11 -167.8 54.47 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.812 1.196 . . . . 0.0 113.922 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -151.77 153.49 34.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.001 1.321 . . . . 0.0 112.285 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -81.91 -10.81 59.17 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.32 -34.29 77.79 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 p -23.68 102.82 0.1 OUTLIER Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 128.049 2.54 . . . . 0.0 113.551 -167.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 C--N 1.353 0.787 0 C-N-CA 123.508 2.805 . . . . 0.0 112.369 -161.164 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.7 t -67.31 -36.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.597 0.759 . . . . 0.0 109.958 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.61 -3.97 7.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.908 1.683 . . . . 0.0 113.563 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -119.27 -60.11 1.77 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.871 1.268 . . . . 0.0 110.537 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 m -74.5 -29.26 61.35 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.06 -22.32 42.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.489 -0.757 . . . . 0.0 112.294 171.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -89.95 -38.13 13.88 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.356 1.863 . . . . 0.0 112.423 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -148.5 -169.73 3.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.25 126.29 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.62 1.168 . . . . 0.0 111.394 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -103.52 144.28 31.61 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.413 1.885 . . . . 0.0 110.914 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -153.26 152.1 30.79 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.9 0.88 . . . . 0.0 112.015 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.94 -43.89 60.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -73.54 -22.34 60.12 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.78 -45.08 13.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.513 1.125 . . . . 0.0 109.784 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -55.75 -35.82 66.61 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.994 1.718 . . . . 0.0 113.198 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.18 -26.64 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -64.39 -16.98 63.31 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -109.19 9.84 25.95 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.32 1.448 . . . . 0.0 111.727 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.19 155.35 36.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.735 0.814 . . . . 0.0 110.911 166.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--O 1.24 0.605 0 O-C-N 121.34 -0.85 . . . . 0.0 112.176 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t 65.3 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.935 2.094 . . . . 0.0 110.574 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.23 110.82 5.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.125 1.77 . . . . 0.0 109.174 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -167.24 169.49 12.5 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.85 1.26 . . . . 0.0 111.323 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -66.08 133.62 51.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 110.635 169.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -151.75 120.49 6.55 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.474 -0.766 . . . . 0.0 110.755 -160.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -155.06 146.31 22.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.21 -0.932 . . . . 0.0 113.049 -166.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -127.09 29.74 Favored Glycine 0 N--CA 1.471 1.017 0 C-N-CA 124.181 0.895 . . . . 0.0 112.294 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.27 -48.29 68.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.096 0.958 . . . . 0.0 112.177 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -55.22 -36.69 66.25 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.959 -1.088 . . . . 0.0 112.969 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.46 -37.51 60.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.03 0.932 . . . . 0.0 112.021 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.12 -45.92 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.821 0.848 . . . . 0.0 111.297 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.98 -44.06 97.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.003 1.321 . . . . 0.0 111.189 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -48.87 70.84 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.008 0.923 . . . . 0.0 112.453 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.28 -41.32 84.11 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.354 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.17 -41.41 96.73 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.783 0.72 . . . . 0.0 112.253 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.88 -42.96 89.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.731 0.812 . . . . 0.0 112.136 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.16 -50.44 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.648 1.179 . . . . 0.0 111.686 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -78.34 -33.72 48.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.948 1.299 . . . . 0.0 114.051 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.52 -171.04 27.43 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.201 1.381 . . . . 0.0 112.648 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -83.09 35.3 0.48 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.518 1.527 . . . . 0.0 113.392 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -64.89 -53.14 51.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.735 1.214 . . . . 0.0 114.22 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.53 168.43 21.73 Favored Glycine 0 N--CA 1.475 1.273 1 C-N-CA 131.249 4.261 . . . . 0.0 112.368 -9.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -59.77 160.78 7.04 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -86.7 -9.37 56.1 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.51 -39.32 93.56 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -20.93 100.13 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.304 0 C-N-CA 128.414 2.685 . . . . 0.0 113.727 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.354 0.863 0 C-N-CA 123.453 2.769 . . . . 0.0 113.795 -162.184 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.1 -20.38 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 118.943 0.792 . . . . 0.0 112.522 -168.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.12 -21.55 66.81 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.806 1.242 . . . . 0.0 112.595 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.1 -57.87 2.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.751 0.705 . . . . 0.0 109.259 159.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.7 m -77.92 47.6 0.65 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.049 1.34 . . . . 0.0 114.568 -170.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -155.8 -34.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 158.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -73.23 -36.87 66.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.423 2.289 . . . . 0.0 112.745 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -151.26 179.63 8.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.08 1.352 . . . . 0.0 112.246 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.81 134.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.788 1.235 . . . . 0.0 112.045 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.3 m -119.97 156.46 30.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.815 1.246 . . . . 0.0 111.187 160.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -146.78 155.49 42.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.78 1.232 . . . . 0.0 110.119 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.39 -43.05 61.81 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -73.55 -23.81 60.03 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.39 -44.34 16.23 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.852 1.261 . . . . 0.0 109.629 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.51 -29.75 70.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.271 1.429 . . . . 0.0 113.175 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 28.6 tt0 -58.71 -26.98 64.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -63.94 -16.25 61.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.48 5.84 29.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 112.818 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 83.9 m -72.09 149.66 44.6 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.448 -0.782 . . . . 0.0 112.166 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.566 0.746 . . . . 0.0 111.782 176.5 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.24 151.24 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.179 1.392 . . . . 0.0 109.508 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -46.74 121.99 3.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.439 1.496 . . . . 0.0 111.833 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.43 172.66 16.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.981 1.312 . . . . 0.0 110.737 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.62 -34.49 69.87 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt 58.14 -167.6 0.14 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.076 1.75 . . . . 0.0 111.033 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t 179.31 -168.16 0.09 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 129.384 3.074 . . . . 0.0 109.052 165.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.84 134.95 13.9 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.827 -1.171 . . . . 0.0 110.663 165.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m -87.52 -9.65 53.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.84 2.856 . . . . 0.0 114.342 -0.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -42.32 -38.54 1.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.382 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.82 -32.87 71.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.389 1.876 . . . . 0.0 113.332 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.95 -40.42 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.195 0.998 . . . . 0.0 110.585 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.96 -43.91 74.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.148 . . . . 0.0 110.671 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.46 64.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.402 1.081 . . . . 0.0 111.087 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 32.3 mt -55.02 -48.09 73.84 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.802 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -57.72 -41.51 81.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.144 1.338 . . . . 0.0 113.046 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.82 -31.01 68.67 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.353 -0.842 . . . . 0.0 112.607 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.85 -55.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.665 1.186 . . . . 0.0 111.203 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -76.17 -23.94 54.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.625 1.97 . . . . 0.0 114.782 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -163.83 54.66 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.532 1.063 . . . . 0.0 112.618 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -7.96 15.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -63.04 -31.93 73.18 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.098 0.959 . . . . 0.0 111.953 167.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.34 -166.29 53.53 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.214 1.387 . . . . 0.0 114.295 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 19.5 p80 -149.95 159.66 44.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.41 1.884 . . . . 0.0 111.911 -174.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -89.2 -8.35 53.75 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.54 -38.97 93.14 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -15.83 95.48 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.289 0 C-N-CA 129.0 2.92 . . . . 0.0 113.742 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.353 0.772 0 C-N-CA 123.746 2.964 . . . . 0.0 112.32 -163.458 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.4 -0.59 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.635 -1.291 . . . . 0.0 113.196 171.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -118.94 -67.07 1.01 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.062 1.745 . . . . 0.0 109.708 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.0 125.22 24.23 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.405 -0.81 . . . . 0.0 109.556 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.3 m 75.58 -15.48 0.68 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.998 2.119 . . . . 0.0 114.062 -172.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -63.62 1.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.796 1.238 . . . . 0.0 110.862 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -99.42 15.86 25.02 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.352 1.861 . . . . 0.0 112.66 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -148.54 168.24 23.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.802 1.641 . . . . 0.0 110.234 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -85.78 134.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.363 1.065 . . . . 0.0 111.608 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.2 m -137.93 156.16 48.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.821 1.248 . . . . 0.0 113.118 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 m -115.45 178.67 4.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.236 1.814 . . . . 0.0 111.96 169.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -50.42 -42.72 54.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.53 1.532 . . . . 0.0 115.049 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -72.61 -22.89 60.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.79 -45.15 15.99 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.755 1.222 . . . . 0.0 109.499 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.5 -32.26 72.28 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 113.136 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.39 -25.65 64.46 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -63.15 -16.39 59.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -106.75 6.68 29.85 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.848 1.259 . . . . 0.0 112.318 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -75.71 167.16 22.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.614 0.766 . . . . 0.0 112.44 172.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.301 1.041 . . . . 0.0 112.66 179.664 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.89 157.6 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.693 1.597 . . . . 0.0 111.313 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -57.11 130.17 44.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.999 1.32 . . . . 0.0 113.368 -174.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -177.0 179.48 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.087 2.555 . . . . 0.0 109.018 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -76.03 61.56 1.54 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.55 1.14 . . . . 0.0 111.302 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.22 103.26 3.88 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.412 2.285 . . . . 0.0 109.554 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -136.27 -107.7 0.2 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -158.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.31 111.78 4.32 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.179 1.371 . . . . 0.0 112.716 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -111.59 95.42 5.49 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.006 2.922 . . . . 0.0 109.737 -11.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -138.2 -37.76 0.56 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.778 2.031 . . . . 0.0 111.628 -171.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.5 -38.12 88.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.537 1.135 . . . . 0.0 110.887 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.04 -40.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.002 1.321 . . . . 0.0 111.59 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.55 -40.62 69.9 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.408 1.083 . . . . 0.0 111.163 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.24 76.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.499 1.12 . . . . 0.0 111.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.7 mt -55.19 -50.29 69.72 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.694 0.798 . . . . 0.0 110.617 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -55.37 -39.51 70.18 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.432 1.014 . . . . 0.0 113.159 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.47 -40.28 77.2 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.689 0.795 . . . . 0.0 112.81 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.29 -56.61 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.123 1.369 . . . . 0.0 111.389 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.69 -32.0 72.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.622 1.969 . . . . 0.0 112.844 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.89 -47.3 3.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.671 1.605 . . . . 0.0 114.701 167.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -136.62 157.4 46.86 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.124 1.769 . . . . 0.0 110.272 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 65.92 165.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.718 2.407 . . . . 0.0 113.412 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.82 112.01 3.88 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 27.4 p80 -61.13 158.88 12.9 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.979 0.911 . . . . 0.0 112.434 171.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -72.54 -17.12 61.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.06 80.93 9.01 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.947 0.88 . . . . 0.0 112.086 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -113.68 87.03 11.4 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 124.968 1.307 . . . . 0.0 109.014 171.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 C--N 1.353 0.791 0 C-N-CA 123.92 3.08 . . . . 0.0 112.159 -173.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.85 -19.86 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.141 1.376 . . . . 0.0 112.777 -175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -82.95 -6.61 59.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.31 1.444 . . . . 0.0 113.192 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.85 -41.46 0.4 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -174.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -78.65 -15.36 58.59 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.749 -1.219 . . . . 0.0 113.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.2 m -80.98 -23.16 38.93 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.133 0.973 . . . . 0.0 113.545 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.4 p -111.34 -20.24 12.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.265 1.426 . . . . 0.0 113.677 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -139.92 -179.83 6.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.989 1.316 . . . . 0.0 112.451 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -62.14 133.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.68 1.192 . . . . 0.0 110.173 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 m -125.93 159.14 33.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.245 1.021 . . . . 0.0 111.751 162.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 m -167.65 168.84 12.34 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.941 2.096 . . . . 0.0 108.872 -165.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.28 -49.46 3.68 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.156 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -69.47 -22.35 63.63 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -86.36 -44.9 11.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.791 1.236 . . . . 0.0 109.763 170.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.55 -30.5 69.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.427 1.491 . . . . 0.0 113.642 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.98 -27.18 66.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.49 1.116 . . . . 0.0 112.763 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -62.91 -18.34 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -107.44 4.7 26.53 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.055 1.342 . . . . 0.0 112.476 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.24 138.93 47.83 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.472 0.67 0 O-C-N 121.496 -0.753 . . . . 0.0 111.72 178.184 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t 79.75 148.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.503 2.721 . . . . 0.0 112.2 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.41 91.62 0.41 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.418 1.487 . . . . 0.0 109.952 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -155.53 178.18 10.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.228 1.011 . . . . 0.0 112.004 -172.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -71.16 125.52 27.15 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.796 0.838 . . . . 0.0 110.316 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -97.39 -164.31 1.13 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.937 1.295 . . . . 0.0 109.336 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 156.47 158.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 131.672 3.989 . . . . 0.0 111.002 163.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.54 -121.71 26.91 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.036 0.826 . . . . 0.0 113.13 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -71.33 -32.97 69.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.457 1.103 . . . . 0.0 113.224 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -55.43 -35.27 65.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.743 1.217 . . . . 0.0 112.027 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.51 -41.84 90.86 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.561 1.144 . . . . 0.0 111.998 173.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.49 -43.48 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.403 0.681 . . . . 0.0 110.246 -171.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -37.61 75.66 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.305 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -53.0 62.31 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.307 0.958 . . . . 0.0 111.191 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 38.5 mt -55.12 -43.85 74.49 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 111.976 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -64.16 -43.4 95.28 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.599 0.636 . . . . 0.0 112.67 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.87 -37.04 85.93 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.466 1.03 . . . . 0.0 112.317 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.27 -53.98 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 0.0 111.531 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 t -77.6 -29.48 51.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -171.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.54 -157.3 43.96 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.686 1.612 . . . . 0.0 112.66 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.88 -8.68 16.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.101 1.36 . . . . 0.0 114.364 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -30.28 69.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.953 1.301 . . . . 0.0 112.479 171.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.37 -176.25 45.04 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.729 1.157 . . . . 0.0 113.301 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 25.9 p80 -147.64 157.1 43.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.283 1.033 . . . . 0.0 112.376 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -82.02 -16.69 49.38 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -80.54 91.92 5.85 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.362 -0.836 . . . . 0.0 111.026 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -118.71 89.5 37.79 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.47 1.108 . . . . 0.0 109.297 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.352 0.757 0 C-N-CA 124.723 3.615 . . . . 0.0 112.01 -173.31 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.74 -29.96 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.916 0.78 . . . . 0.0 112.596 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.15 -16.4 63.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.15 -55.3 2.81 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.585 1.154 . . . . 0.0 109.774 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.29 -30.36 70.2 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.55 -9.74 58.84 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.813 -1.18 . . . . 0.0 112.947 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 m -113.69 -33.6 5.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.725 2.01 . . . . 0.0 112.335 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -143.52 173.08 11.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.185 1.794 . . . . 0.0 112.021 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.46 123.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.946 -1.096 . . . . 0.0 111.663 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 m -108.16 149.33 28.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.311 1.044 . . . . 0.0 111.542 163.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -153.75 159.72 42.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.478 1.511 . . . . 0.0 110.102 -161.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.28 -44.31 33.56 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -73.24 -23.11 60.3 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -82.94 -47.18 12.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.688 1.195 . . . . 0.0 109.404 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.5 -32.31 71.32 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.922 1.689 . . . . 0.0 113.353 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.69 -27.0 66.03 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.529 0.732 . . . . 0.0 112.936 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -64.27 -17.93 64.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.26 8.32 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.081 1.352 . . . . 0.0 112.455 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.85 136.78 47.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.767 1.227 . . . . 0.0 111.424 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.499 -0.751 . . . . 0.0 111.864 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.53 155.57 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.857 1.663 . . . . 0.0 110.827 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -53.55 119.72 5.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.781 1.632 . . . . 0.0 112.092 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.54 -178.37 4.39 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.216 1.407 . . . . 0.0 111.288 -172.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -79.01 57.0 2.08 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.452 1.501 . . . . 0.0 112.237 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -55.76 132.9 50.45 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.242 1.817 . . . . 0.0 112.252 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.6 t -155.51 133.66 11.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.36 -0.837 . . . . 0.0 112.134 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.69 -124.42 26.58 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 123.666 0.65 . . . . 0.0 112.206 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -56.0 -40.64 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.791 1.236 . . . . 0.0 112.991 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -56.45 -42.91 78.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.452 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -43.87 77.52 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.72 . . . . 0.0 110.58 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.82 -49.29 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.778 0.831 . . . . 0.0 112.077 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.68 -35.04 76.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.556 0.616 . . . . 0.0 111.882 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.68 -50.53 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.653 0.781 . . . . 0.0 111.782 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -55.16 -42.66 73.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.09 0.556 . . . . 0.0 111.492 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -65.4 -42.27 92.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.73 -35.46 80.16 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.797 1.181 . . . . 0.0 112.42 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.19 -54.85 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.921 0.888 . . . . 0.0 111.216 173.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.05 -27.1 48.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -157.93 43.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.267 1.413 . . . . 0.0 112.756 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.14 -10.74 6.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -56.9 -33.62 67.08 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.493 1.517 . . . . 0.0 113.112 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 -170.33 50.23 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.482 1.039 . . . . 0.0 113.085 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -149.99 154.55 38.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.279 1.032 . . . . 0.0 112.732 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -82.23 -9.97 59.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 114.049 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.29 -37.79 88.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -20.27 100.47 0.06 OUTLIER Pre-proline 0 N--CA 1.486 1.358 0 C-N-CA 128.345 2.658 . . . . 0.0 113.824 -167.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--N 1.353 0.784 0 C-N-CA 123.714 2.942 . . . . 0.0 112.526 -163.301 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.2 -30.47 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.52 1.054 . . . . 0.0 111.958 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.68 -34.59 73.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.501 1.121 . . . . 0.0 111.564 171.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -85.13 -57.0 3.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.573 1.149 . . . . 0.0 111.142 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -68.55 -27.57 66.2 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -77.44 -10.0 59.21 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.025 -1.047 . . . . 0.0 112.546 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -114.3 -32.28 6.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.655 1.982 . . . . 0.0 112.422 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -142.95 176.31 9.17 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.864 1.665 . . . . 0.0 112.373 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.05 133.21 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 120.94 -1.1 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -118.82 106.72 12.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.086 0.954 . . . . 0.0 110.733 164.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -94.87 173.23 7.7 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.492 1.517 . . . . 0.0 112.443 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.85 -43.48 59.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -73.09 -22.19 60.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -81.46 -48.49 11.8 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.801 1.241 . . . . 0.0 109.008 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.79 -33.21 73.7 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.484 1.514 . . . . 0.0 113.549 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.23 -26.39 66.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.375 0.67 . . . . 0.0 112.699 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -62.76 -17.65 61.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CG ' HD12 ' A' ' 2' ' ' ILE . 6.6 m-85 -107.87 5.97 26.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.668 1.187 . . . . 0.0 112.521 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -74.74 135.95 41.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.737 1.215 . . . . 0.0 110.905 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 N--CA 1.472 0.634 0 O-C-N 121.464 -0.773 . . . . 0.0 111.595 -179.344 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 p90 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.0 t 80.93 -33.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 128.343 2.657 . . . . 0.0 115.003 158.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m120 105.79 104.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 130.476 3.51 . . . . 0.0 107.223 -170.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -162.34 171.08 17.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.298 1.039 . . . . 0.0 109.462 -157.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -66.0 135.78 55.14 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.812 -0.555 . . . . 0.0 109.848 159.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -139.04 131.39 28.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 110.161 -173.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.8 125.42 7.62 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.833 -0.542 . . . . 0.0 110.952 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.04 -121.04 17.77 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 123.814 0.721 . . . . 0.0 111.939 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -53.02 -50.72 63.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.376 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -50.15 -42.25 50.51 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.852 -1.155 . . . . 0.0 113.314 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.06 -43.58 70.89 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.099 0.96 . . . . 0.0 110.795 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.17 -46.27 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.876 0.87 . . . . 0.0 112.029 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.36 -46.6 89.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.906 1.283 . . . . 0.0 110.8 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.48 78.54 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.674 0.79 . . . . 0.0 112.184 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -56.68 -44.31 81.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.924 0.489 . . . . 0.0 111.603 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.34 -45.01 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.432 0.56 . . . . 0.0 112.394 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.46 -36.22 83.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.414 -0.804 . . . . 0.0 112.517 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.34 -52.87 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.346 1.058 . . . . 0.0 111.351 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.15 -17.95 61.92 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -129.88 9.5 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.467 1.508 . . . . 0.0 112.308 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.67 -2.02 24.37 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.254 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -101.85 152.6 20.71 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.245 1.818 . . . . 0.0 111.495 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.71 -177.9 49.32 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 124.924 1.25 . . . . 0.0 113.654 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -137.89 150.53 47.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.274 1.43 . . . . 0.0 111.824 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -82.82 -8.95 59.54 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -65.08 -35.59 81.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.7 p -20.17 100.45 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 128.333 2.653 . . . . 0.0 113.965 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.354 0.835 0 C-N-CA 123.731 2.954 . . . . 0.0 112.089 -163.219 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.57 -31.61 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.64 0.776 . . . . 0.0 110.952 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.11 -3.42 7.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.018 1.727 . . . . 0.0 113.564 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -125.01 -51.3 1.68 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.373 1.469 . . . . 0.0 110.988 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -70.88 -33.93 71.09 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.83 -19.73 22.23 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.174 0.897 . . . . 0.0 112.78 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.9 p -90.95 -27.88 18.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.906 1.682 . . . . 0.0 112.918 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -148.59 -169.01 3.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.404 1.482 . . . . 0.0 111.723 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.49 139.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 120.522 -1.361 . . . . 0.0 110.54 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 p -139.45 161.95 36.22 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 112.173 162.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -148.92 163.57 37.08 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.45 1.1 . . . . 0.0 111.976 -162.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.52 -44.36 17.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -172.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -71.91 -23.66 61.51 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.68 -41.07 14.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.257 1.023 . . . . 0.0 110.273 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -60.58 -32.06 71.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.691 1.197 . . . . 0.0 113.078 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 27.1 tt0 -59.27 -26.46 64.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -64.35 -16.85 63.02 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -104.31 4.35 33.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.543 1.137 . . . . 0.0 112.668 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.0 m -71.22 148.17 47.52 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.398 -0.814 . . . . 0.0 112.183 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 123.357 0.663 . . . . 0.0 111.55 176.272 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.42 144.44 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.418 1.487 . . . . 0.0 110.088 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -54.56 125.03 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 112.658 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -168.76 -176.24 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.478 1.911 . . . . 0.0 109.763 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -77.73 121.12 23.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.582 0.753 . . . . 0.0 110.76 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.51 117.82 32.02 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.545 1.938 . . . . 0.0 110.672 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 140.06 51.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.874 1.27 . . . . 0.0 110.172 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -119.19 13.46 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.054 0.835 . . . . 0.0 113.523 170.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -53.04 -50.52 64.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.379 1.072 . . . . 0.0 112.249 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.91 -42.22 65.16 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.76 -1.213 . . . . 0.0 112.219 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.51 -41.44 76.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.89 0.876 . . . . 0.0 111.718 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.9 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.897 0.879 . . . . 0.0 112.029 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.72 -45.98 84.23 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.0 1.32 . . . . 0.0 111.016 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.82 79.29 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.87 0.868 . . . . 0.0 111.456 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.88 -49.82 70.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.745 174.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -56.58 -40.99 76.18 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.92 1.236 . . . . 0.0 113.095 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.7 -32.29 70.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.271 -0.893 . . . . 0.0 112.838 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.26 -55.37 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.757 1.223 . . . . 0.0 111.175 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -74.3 -29.57 61.69 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.382 1.873 . . . . 0.0 114.174 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.95 -160.74 48.71 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.796 1.189 . . . . 0.0 112.501 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.2 -12.16 11.84 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -62.16 -34.73 76.96 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.875 1.27 . . . . 0.0 112.17 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.07 -163.65 54.23 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.901 1.239 . . . . 0.0 113.558 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -153.63 160.69 42.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.319 1.848 . . . . 0.0 111.685 -173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -87.33 -11.47 49.36 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -79.2 84.52 5.15 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.18 0.9 . . . . 0.0 111.059 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -114.73 85.27 11.25 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.096 1.358 . . . . 0.0 108.886 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo . . . . . 0 C--N 1.354 0.836 0 C-N-CA 123.73 2.953 . . . . 0.0 111.327 -172.036 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.91 -18.02 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.184 0.994 . . . . 0.0 112.669 -171.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.24 -21.7 62.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.989 1.316 . . . . 0.0 112.717 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.52 -26.61 2.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -98.25 17.4 18.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.928 1.24 . . . . 0.0 113.864 173.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -155.38 116.27 3.9 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.13 0.877 . . . . 0.0 112.773 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 p -75.39 127.0 32.15 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.811 2.844 . . . . 0.0 109.931 -15.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -168.55 168.7 10.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.384 1.474 . . . . 0.0 109.739 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -76.56 -42.99 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.52 -61.28 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.443 2.697 . . . . 0.0 114.404 -163.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m 78.96 166.95 0.2 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.109 2.563 . . . . 0.0 113.19 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.84 -45.1 29.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 115.235 -171.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -71.27 -22.91 61.9 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -85.16 -48.29 9.3 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.888 0.875 . . . . 0.0 109.607 170.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.76 -30.73 71.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.767 1.227 . . . . 0.0 113.103 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.95 -27.98 69.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.983 0.913 . . . . 0.0 112.823 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.86 -19.28 63.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.97 3.01 35.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.734 1.214 . . . . 0.0 112.385 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.43 134.39 48.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.016 1.326 . . . . 0.0 111.113 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.472 0.641 0 O-C-N 121.442 -0.786 . . . . 0.0 111.698 -178.29 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.0 p90 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.37 141.39 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.571 1.148 . . . . 0.0 110.009 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.36 40.31 0.1 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.999 1.72 . . . . 0.0 113.688 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -88.48 170.58 10.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.25 1.82 . . . . 0.0 110.881 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -65.81 130.77 44.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.839 -0.538 . . . . 0.0 110.351 161.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 163.01 20.78 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.179 1.392 . . . . 0.0 112.425 -174.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -168.36 159.46 10.58 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.978 2.511 . . . . 0.0 109.534 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.93 -124.0 19.06 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.39 0.995 . . . . 0.0 113.779 167.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -53.17 -48.55 67.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.269 1.028 . . . . 0.0 112.58 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -58.92 -39.25 80.99 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.595 -1.316 . . . . 0.0 112.706 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -66.54 -43.17 85.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.233 0.613 . . . . 0.0 110.861 175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.0 t -60.29 -44.11 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.132 0.973 . . . . 0.0 111.616 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.86 -47.34 85.44 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.744 1.217 . . . . 0.0 110.927 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.9 74.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.5 mt -55.49 -46.09 76.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.028 0.931 . . . . 0.0 111.73 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -62.48 -43.17 99.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.225 0.61 . . . . 0.0 112.399 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.32 -33.5 74.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.728 0.811 . . . . 0.0 112.83 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.28 -53.43 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.879 0.871 . . . . 0.0 111.18 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.58 -39.11 81.11 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -172.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 -134.3 13.36 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.809 1.195 . . . . 0.0 111.399 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.48 156.18 27.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.031 0.933 . . . . 0.0 112.279 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 78.11 -17.04 0.6 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.581 2.752 . . . . 0.0 113.75 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.23 -160.72 53.42 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.025 1.298 . . . . 0.0 114.035 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -133.71 161.78 33.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.511 1.524 . . . . 0.0 112.218 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -83.53 -12.5 56.12 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -80.38 85.97 5.79 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.262 -0.899 . . . . 0.0 111.409 173.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.8 p -115.25 85.87 13.47 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 124.328 1.051 . . . . 0.0 109.092 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.543 0.971 0 C-N-CA 124.065 3.177 . . . . 0.0 111.765 -173.407 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.451 HG23 ' H ' ' A' ' 3' ' ' VAL 0.336 6.6 tp . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.451 ' H ' HG23 ' A' ' 2' ' ' ILE . 25.9 t -61.72 -30.81 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.874 1.27 . . . . 0.0 111.439 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.63 -17.14 62.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.68 1.192 . . . . 0.0 112.692 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -103.44 -57.18 2.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.659 1.184 . . . . 0.0 110.032 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.43 -24.57 67.22 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -81.56 -17.4 48.5 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -116.82 -20.49 9.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.567 1.547 . . . . 0.0 113.459 -176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 t -143.73 163.68 32.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.24 1.816 . . . . 0.0 110.74 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -82.03 127.18 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 O-C-N 120.754 -1.216 . . . . 0.0 112.707 -165.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.66 146.49 26.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.125 1.37 . . . . 0.0 111.233 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -148.8 163.12 38.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.226 1.81 . . . . 0.0 109.238 -168.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.82 -48.29 4.31 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -173.323 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -71.12 -24.43 62.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.27 -45.63 13.59 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.628 1.171 . . . . 0.0 109.594 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.85 -33.22 72.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.102 1.761 . . . . 0.0 112.93 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -58.53 -26.5 63.58 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.742 0.817 . . . . 0.0 113.046 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -65.4 -17.73 64.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.945 -1.097 . . . . 0.0 113.863 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -107.51 5.86 27.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.946 1.298 . . . . 0.0 112.546 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.35 141.14 48.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.524 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 123.266 0.626 . . . . 0.0 111.59 173.46 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.36 156.68 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.818 1.647 . . . . 0.0 110.884 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.2 120.52 8.24 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.544 1.537 . . . . 0.0 111.839 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.68 176.31 7.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.796 1.639 . . . . 0.0 110.348 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -77.08 65.07 2.64 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.757 0.823 . . . . 0.0 111.38 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -51.07 122.86 8.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.421 1.888 . . . . 0.0 112.745 -172.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -169.16 162.87 10.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.635 0.774 . . . . 0.0 112.346 -169.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.37 -48.37 2.15 Favored Glycine 0 N--CA 1.477 1.371 0 C-N-CA 126.351 1.929 . . . . 0.0 114.261 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -159.06 -38.93 0.06 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.393 1.877 . . . . 0.0 110.982 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -31.02 32.19 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -36.99 79.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.555 1.142 . . . . 0.0 112.008 174.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.67 -44.21 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 0.0 110.553 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.74 -46.55 89.15 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.229 1.012 . . . . 0.0 110.653 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.53 70.0 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.462 1.105 . . . . 0.0 112.178 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.63 -40.66 84.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.163 0.438 . . . . 0.0 111.942 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.22 -43.57 97.73 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.54 0.609 . . . . 0.0 112.343 173.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.24 -32.97 71.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.556 -0.715 . . . . 0.0 112.836 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.83 -54.83 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.102 0.961 . . . . 0.0 111.115 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.6 -29.31 56.48 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 -164.6 33.22 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.353 1.454 . . . . 0.0 113.28 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.94 -16.89 47.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -77.36 -8.79 58.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.59 -163.78 54.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.776 1.179 . . . . 0.0 114.219 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -149.21 159.5 44.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.113 1.365 . . . . 0.0 112.271 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -82.8 -11.4 58.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.17 -37.03 84.65 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -20.73 99.64 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.399 0 C-N-CA 128.348 2.659 . . . . 0.0 113.783 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 C--N 1.351 0.708 0 C-N-CA 123.732 2.955 . . . . 0.0 112.312 -164.152 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -58.38 -27.03 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.033 1.333 . . . . 0.0 112.974 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.08 -13.92 60.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.056 0.942 . . . . 0.0 112.531 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.18 -65.15 0.98 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.5 1.12 . . . . 0.0 110.255 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -81.48 -7.11 59.54 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -162.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.81 91.63 5.45 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.185 0.994 . . . . 0.0 110.933 166.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -110.92 117.68 34.03 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 130.425 3.49 . . . . 0.0 109.663 -8.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -167.33 160.12 13.18 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.446 1.899 . . . . 0.0 109.831 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -65.97 120.69 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.067 -1.02 . . . . 0.0 111.555 -173.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.49 138.0 38.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.763 1.225 . . . . 0.0 109.175 160.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -140.25 151.37 45.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.296 1.038 . . . . 0.0 111.723 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -45.11 37.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.14 -23.48 61.3 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.2 -45.13 12.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.394 1.078 . . . . 0.0 110.027 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.03 -29.72 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.124 1.77 . . . . 0.0 113.204 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.06 -26.67 68.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -65.86 -17.73 64.85 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.985 -1.072 . . . . 0.0 113.738 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.02 3.74 33.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.029 1.331 . . . . 0.0 112.046 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.48 136.62 54.9 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.998 1.319 . . . . 0.0 110.964 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.5 -0.75 . . . . 0.0 111.716 178.883 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m 59.5 154.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 130.273 3.429 . . . . 0.0 116.087 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -68.67 110.84 4.46 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.513 1.125 . . . . 0.0 110.038 175.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -161.79 -177.48 5.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.824 1.25 . . . . 0.0 111.39 -174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -76.08 51.48 0.67 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.028 1.731 . . . . 0.0 113.384 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.24 128.1 34.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.125 1.77 . . . . 0.0 110.897 -173.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -144.22 133.46 23.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.052 0.941 . . . . 0.0 111.277 -169.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.8 -119.78 17.63 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.773 0.701 . . . . 0.0 112.432 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p -54.93 -49.37 71.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.552 1.141 . . . . 0.0 112.333 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -52.88 -38.27 61.46 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.045 -1.034 . . . . 0.0 112.866 174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 -46.55 67.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.458 1.103 . . . . 0.0 110.731 178.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.75 -43.23 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.369 1.068 . . . . 0.0 111.933 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -62.84 -46.64 86.99 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.828 1.251 . . . . 0.0 111.098 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -50.48 73.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.078 0.951 . . . . 0.0 111.78 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.419 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.3 mt -54.71 -44.38 73.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.548 0.739 . . . . 0.0 111.782 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.55 -41.74 92.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.44 -37.11 85.93 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.596 1.089 . . . . 0.0 112.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.21 -54.86 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.05 0.94 . . . . 0.0 111.137 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 t -74.47 -30.49 61.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.41 -155.27 41.53 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.677 1.608 . . . . 0.0 112.667 -173.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.33 -18.98 31.45 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.714 1.606 . . . . 0.0 114.254 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.54 70.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.055 1.342 . . . . 0.0 112.799 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.8 -174.9 42.17 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.586 1.088 . . . . 0.0 113.444 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.8 p80 -143.56 159.19 42.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.421 1.088 . . . . 0.0 112.329 -176.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -80.89 -17.91 49.03 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.37 88.79 3.76 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.218 0.917 . . . . 0.0 111.337 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -118.93 87.78 34.53 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.766 1.226 . . . . 0.0 109.285 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 C--N 1.352 0.763 0 C-N-CA 123.838 3.025 . . . . 0.0 112.11 -174.696 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.53 -25.86 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.451 0.7 . . . . 0.0 112.757 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -82.96 -2.56 55.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.48 1.112 . . . . 0.0 112.671 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.21 -46.86 2.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.232 1.413 . . . . 0.0 111.313 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.3 m -92.29 -27.39 17.63 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.68 -19.89 54.57 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.025 -1.047 . . . . 0.0 112.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.6 p -102.9 -31.73 10.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.114 2.165 . . . . 0.0 113.212 -174.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -140.35 179.05 6.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.325 1.45 . . . . 0.0 112.198 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.45 126.38 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.845 -1.16 . . . . 0.0 111.106 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.78 138.78 35.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.049 1.74 . . . . 0.0 110.947 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -152.65 164.53 37.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.709 1.204 . . . . 0.0 111.275 -172.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.2 -43.96 42.75 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -73.88 -20.83 60.29 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -84.83 -46.88 10.92 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.612 1.165 . . . . 0.0 109.149 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.45 -36.11 75.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.586 1.554 . . . . 0.0 113.709 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.72 -27.24 66.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.452 0.701 . . . . 0.0 112.848 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -61.49 -19.11 61.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -106.71 6.9 30.13 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.938 1.295 . . . . 0.0 112.453 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -70.97 143.9 50.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.94 0.896 . . . . 0.0 111.646 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.171 0.988 . . . . 0.0 112.112 179.421 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.1 p90 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.98 146.8 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.22 1.808 . . . . 0.0 108.973 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.5 127.49 13.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.93 1.292 . . . . 0.0 113.435 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -172.21 174.76 3.88 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.611 1.964 . . . . 0.0 109.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -77.86 58.22 1.85 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.768 1.227 . . . . 0.0 112.559 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.26 132.59 39.14 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.15 152.19 22.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.337 0.655 . . . . 0.0 112.075 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 -130.04 29.64 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.808 0.718 . . . . 0.0 111.68 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -64.53 -32.41 74.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.457 0.703 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -33.65 65.72 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.508 -1.37 . . . . 0.0 112.929 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.17 -34.88 79.04 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.999 0.92 . . . . 0.0 112.985 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.5 -44.24 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 119.401 1.001 . . . . 0.0 109.95 -175.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.69 -35.31 74.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.29 0.636 . . . . 0.0 112.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.81 73.21 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.377 -0.827 . . . . 0.0 111.716 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.27 -42.42 86.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.797 0.839 . . . . 0.0 111.736 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.24 -41.63 93.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.521 0.6 . . . . 0.0 112.423 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.32 -41.85 80.2 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.779 0.718 . . . . 0.0 112.733 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.8 -52.54 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.905 0.882 . . . . 0.0 111.433 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.12 -26.5 61.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.457 1.103 . . . . 0.0 113.383 -174.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.73 -43.45 2.79 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.148 1.833 . . . . 0.0 115.179 167.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -138.22 147.25 43.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.046 1.338 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 65.07 176.93 0.2 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.061 2.144 . . . . 0.0 112.975 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.49 117.13 4.56 Favored Glycine 0 N--CA 1.468 0.829 0 C-N-CA 124.291 0.948 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.89 160.86 22.41 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.456 1.103 . . . . 0.0 112.446 164.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -84.15 -18.27 37.3 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -80.11 104.86 10.96 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.467 1.03 . . . . 0.0 110.892 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -135.84 100.75 10.84 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 124.243 1.017 . . . . 0.0 108.373 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo . . . . . 0 C--N 1.351 0.692 0 C-N-CA 123.797 2.998 . . . . 0.0 111.646 -169.357 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.407 HG23 ' H ' ' A' ' 3' ' ' VAL 0.313 12.0 tt . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 117.474 2.398 . . . . 0.0 117.474 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' ILE . 24.4 t -58.32 -35.38 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.062 1.345 . . . . 0.0 110.836 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -64.79 -15.0 61.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.345 1.058 . . . . 0.0 113.3 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -98.62 -62.29 1.26 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.208 1.003 . . . . 0.0 109.85 168.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -68.82 -24.84 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -166.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -111.77 87.02 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.211 1.404 . . . . 0.0 111.113 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -116.65 118.23 32.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 129.274 3.03 . . . . 0.0 111.25 -0.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -163.61 159.3 21.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.34 165.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.3 119.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.276 -0.89 . . . . 0.0 110.853 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 m -114.87 150.42 35.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.768 1.227 . . . . 0.0 111.567 170.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 m -151.95 159.43 43.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.832 1.253 . . . . 0.0 110.877 -163.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.33 -45.3 45.29 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -71.01 -21.72 62.25 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.91 -43.45 11.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.47 1.108 . . . . 0.0 110.502 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.57 -30.09 71.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.015 1.326 . . . . 0.0 113.507 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.37 -27.03 67.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.777 0.831 . . . . 0.0 112.694 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -62.32 -17.2 58.17 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -104.62 3.0 31.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.619 1.167 . . . . 0.0 112.832 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.06 140.33 54.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.804 1.242 . . . . 0.0 111.132 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.414 -0.804 . . . . 0.0 112.041 175.931 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 p90 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.45 159.83 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.293 1.037 . . . . 0.0 111.878 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.04 118.89 5.9 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.702 1.201 . . . . 0.0 110.46 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.77 170.51 19.45 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.39 0.676 . . . . 0.0 112.706 -168.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -73.92 135.0 43.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.478 1.111 . . . . 0.0 110.601 169.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.23 130.25 38.79 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.82 0.848 . . . . 0.0 111.687 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -132.91 136.9 46.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.255 1.422 . . . . 0.0 110.315 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.16 -120.99 20.44 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.237 0.923 . . . . 0.0 113.554 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -46.63 64.23 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.018 1.327 . . . . 0.0 112.71 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -38.76 75.05 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.686 -1.259 . . . . 0.0 112.498 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -42.72 70.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.686 1.194 . . . . 0.0 110.574 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.64 -45.0 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.428 1.091 . . . . 0.0 111.904 172.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.46 -44.56 94.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 111.143 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.0 -48.9 79.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.722 0.809 . . . . 0.0 111.416 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.67 -45.26 81.8 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.206 0.603 . . . . 0.0 112.036 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.79 -38.01 80.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.129 0.972 . . . . 0.0 113.008 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.16 -40.26 52.98 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.645 0.778 . . . . 0.0 112.294 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.52 -51.68 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.553 1.141 . . . . 0.0 111.178 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.73 -27.53 68.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.756 0.822 . . . . 0.0 112.518 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.12 1.18 Allowed Glycine 0 C--N 1.342 0.901 0 C-N-CA 125.186 1.374 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.336 10.7 pt-20 48.0 -133.47 1.3 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.931 1.293 . . . . 0.0 111.154 -158.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 66.94 -16.85 0.13 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.498 2.319 . . . . 0.0 115.286 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.88 172.87 49.55 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.274 1.892 . . . . 0.0 113.294 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.78 155.85 35.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.816 1.646 . . . . 0.0 110.489 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -84.51 -12.8 53.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -171.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.76 87.64 5.84 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.135 0.88 . . . . 0.0 111.002 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.5 p -118.14 93.14 44.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 124.843 1.257 . . . . 0.0 109.339 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.352 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 112.137 -175.467 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.51 HD13 ' CE2' ' A' ' 19' ' ' TYR . 3.7 tp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.24 -28.56 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.06 -22.99 55.05 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.897 0.879 . . . . 0.0 111.78 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -87.52 -66.44 0.91 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.434 1.093 . . . . 0.0 109.589 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -29.38 70.38 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -163.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.19 -15.42 63.39 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -124.42 -28.2 3.66 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.032 1.733 . . . . 0.0 112.694 -171.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 m -127.14 156.09 42.32 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.003 2.521 . . . . 0.0 111.208 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.11 134.89 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.171 -0.956 . . . . 0.0 111.841 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.79 -113.61 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.254 1.421 . . . . 0.0 111.685 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m 89.61 148.18 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 128.888 2.875 . . . . 0.0 112.698 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.54 -44.85 66.06 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.31 -22.31 61.95 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -85.76 -48.18 9.05 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.297 1.039 . . . . 0.0 109.608 170.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.62 -31.11 67.79 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.177 1.391 . . . . 0.0 113.402 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.0 -27.46 68.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.744 0.818 . . . . 0.0 112.852 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -16.76 61.59 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.51 ' CE2' HD13 ' A' ' 2' ' ' ILE . 8.0 m-85 -108.05 9.78 28.35 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.158 1.383 . . . . 0.0 112.019 177.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.45 144.45 48.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.331 1.053 . . . . 0.0 111.443 172.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 124.012 0.925 . . . . 0.0 111.795 177.693 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t 78.28 148.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 128.233 2.613 . . . . 0.0 111.723 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -70.07 92.61 0.75 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.747 1.219 . . . . 0.0 110.297 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -155.85 179.61 9.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.054 0.942 . . . . 0.0 112.754 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -87.53 58.18 4.8 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.159 1.783 . . . . 0.0 112.91 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 137.3 58.17 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.884 -1.135 . . . . 0.0 112.065 -175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -136.16 151.03 49.33 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.215 1.006 . . . . 0.0 111.751 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.78 -125.74 37.48 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.636 0.636 . . . . 0.0 112.987 171.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -54.55 -49.44 70.32 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.235 1.014 . . . . 0.0 112.234 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.88 -35.72 69.26 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.963 -1.086 . . . . 0.0 113.097 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.03 -44.67 72.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.477 0.711 . . . . 0.0 111.363 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.58 -42.84 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.63 0.65 . . . . 0.0 111.669 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.44 -47.82 84.0 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.086 1.354 . . . . 0.0 111.096 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.74 75.1 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.609 0.763 . . . . 0.0 112.201 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.69 -42.32 78.87 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.39 0.676 . . . . 0.0 111.567 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -64.49 -41.47 96.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.474 0.71 . . . . 0.0 112.577 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.59 -40.85 89.1 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.958 0.799 . . . . 0.0 112.046 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.36 -52.46 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.491 1.116 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.72 -31.93 72.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.564 0.746 . . . . 0.0 112.556 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.1 -0.69 58.26 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 126.076 1.798 . . . . 0.0 115.295 169.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -172.87 167.96 5.06 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.332 2.253 . . . . 0.0 108.374 -168.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 72.3 -23.8 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.352 2.261 . . . . 0.0 115.687 161.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.69 14.28 70.72 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.201 1.382 . . . . 0.0 115.777 171.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 45.88 -166.66 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.457 1.903 . . . . 0.0 115.105 -174.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.48 -10.54 13.19 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -88.72 87.74 7.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.758 0.823 . . . . 0.0 110.872 174.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -117.2 85.93 19.97 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 124.791 1.236 . . . . 0.0 110.03 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--N 1.351 0.696 0 C-N-CA 123.819 3.013 . . . . 0.0 112.113 -176.751 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.95 -37.9 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.535 0.734 . . . . 0.0 110.08 -169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.93 -12.9 54.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.078 1.751 . . . . 0.0 113.341 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.86 -64.9 1.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.707 1.203 . . . . 0.0 109.912 170.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 m -75.75 -26.04 57.07 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -164.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.34 -31.08 14.8 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.454 0.57 . . . . 0.0 112.183 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.2 m -77.84 -37.18 49.01 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.397 1.479 . . . . 0.0 112.486 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -139.89 -169.01 2.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.741 1.616 . . . . 0.0 111.05 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.39 127.52 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.828 -1.17 . . . . 0.0 111.444 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -90.31 156.77 18.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 112.08 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -151.99 156.68 40.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.521 0.729 . . . . 0.0 112.034 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -53.82 -43.04 69.05 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -73.05 -27.81 61.96 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -71.93 -49.46 37.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.92 -37.43 84.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.791 1.636 . . . . 0.0 113.665 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -28.01 68.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.89 -14.47 59.8 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -109.4 7.57 25.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.726 1.21 . . . . 0.0 112.962 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.72 140.01 51.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.713 1.205 . . . . 0.0 111.286 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.536 -0.728 . . . . 0.0 111.494 175.174 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t 73.65 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 128.954 2.901 . . . . 0.0 113.438 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.05 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.209 1.804 . . . . 0.0 110.817 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 82.49 159.67 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.193 2.597 . . . . 0.0 113.409 165.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -85.67 39.42 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.681 1.593 . . . . 0.0 112.015 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pp -63.92 133.52 53.41 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.78 1.632 . . . . 0.0 114.108 -167.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.1 m -128.13 157.3 41.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.701 2.0 . . . . 0.0 111.187 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.29 -119.49 13.67 Favored Glycine 0 N--CA 1.474 1.23 0 C-N-CA 123.937 0.779 . . . . 0.0 113.906 165.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -54.88 -53.04 60.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.294 1.037 . . . . 0.0 112.118 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.23 -39.58 60.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.501 1.12 . . . . 0.0 112.079 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.43 -38.24 71.38 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.985 0.914 . . . . 0.0 112.153 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.89 -43.82 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.246 1.019 . . . . 0.0 111.303 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.7 -45.45 92.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.21 0.604 . . . . 0.0 111.343 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.16 70.84 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.987 0.915 . . . . 0.0 111.225 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.91 -45.03 78.8 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.946 0.498 . . . . 0.0 111.96 175.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -62.29 -43.49 98.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.805 0.729 . . . . 0.0 112.543 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.7 -34.45 77.87 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.458 -0.776 . . . . 0.0 112.491 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.63 -52.6 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.807 0.843 . . . . 0.0 111.548 173.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 t -80.0 -25.54 40.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.84 -159.5 43.94 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.466 1.507 . . . . 0.0 112.854 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.18 -7.07 5.1 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -60.66 -29.75 69.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.512 1.525 . . . . 0.0 112.965 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.75 -174.99 52.29 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.809 1.195 . . . . 0.0 113.116 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -153.61 157.84 40.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.443 1.097 . . . . 0.0 112.556 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -90.11 -6.09 55.8 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.13 -38.55 90.99 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.3 p -23.52 103.18 0.1 Allowed Pre-proline 0 N--CA 1.484 1.227 0 C-N-CA 128.12 2.568 . . . . 0.0 113.823 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.354 0.861 0 C-N-CA 123.647 2.898 . . . . 0.0 112.11 -163.254 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.28 -27.07 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 120.133 1.333 . . . . 0.0 113.455 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.7 -6.37 25.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 172.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.24 -62.13 1.58 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.588 1.555 . . . . 0.0 109.836 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.8 t -78.03 -30.71 50.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.56 -25.47 22.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.887 0.875 . . . . 0.0 112.434 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -84.51 -33.64 23.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.486 1.514 . . . . 0.0 112.568 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -136.8 -176.7 4.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.596 1.159 . . . . 0.0 112.336 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.36 133.23 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.699 1.2 . . . . 0.0 110.554 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -136.05 120.62 18.25 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.007 1.323 . . . . 0.0 111.998 -172.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -130.94 174.88 9.56 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.803 1.241 . . . . 0.0 112.772 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.1 -42.85 14.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -73.3 -22.99 60.22 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.68 -47.11 11.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.676 1.19 . . . . 0.0 109.095 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.47 -34.45 69.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.811 1.644 . . . . 0.0 112.973 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.17 -26.87 65.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.882 0.873 . . . . 0.0 113.198 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -65.48 -18.7 65.52 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.926 -1.109 . . . . 0.0 113.56 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.79 8.63 26.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.197 1.399 . . . . 0.0 112.245 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.74 140.19 45.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.88 1.272 . . . . 0.0 111.419 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.569 0.748 . . . . 0.0 111.626 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.61 173.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.597 1.959 . . . . 0.0 109.328 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -62.01 100.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.684 -1.26 . . . . 0.0 109.136 160.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.01 168.42 27.17 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.999 0.919 . . . . 0.0 111.797 -167.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -74.21 128.15 34.79 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.297 0.639 . . . . 0.0 109.688 164.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.37 126.19 54.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.801 0.84 . . . . 0.0 111.024 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.15 165.2 13.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -172.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.81 -49.48 2.1 Favored Glycine 0 N--CA 1.479 1.502 0 C-N-CA 126.405 1.955 . . . . 0.0 114.516 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.9 t -156.86 -40.88 0.07 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.57 1.948 . . . . 0.0 110.475 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -35.5 20.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.191 1.396 . . . . 0.0 113.71 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -41.23 98.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.411 1.484 . . . . 0.0 112.019 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -69.54 -43.34 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.25 1.02 . . . . 0.0 110.553 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.2 -45.15 93.05 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.43 -49.34 71.87 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.561 1.144 . . . . 0.0 112.097 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.9 mt -57.09 -41.85 79.63 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.668 0.387 . . . . 0.0 111.326 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.61 -39.56 93.94 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 173.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.18 -40.29 94.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.694 1.134 . . . . 0.0 112.056 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.71 -50.68 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.816 1.246 . . . . 0.0 111.329 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.15 -11.7 46.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 144.16 39.65 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.523 1.058 . . . . 0.0 114.15 -166.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.43 10.76 14.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.486 2.714 . . . . 0.0 114.507 0.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -73.88 -17.89 60.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -166.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.74 -171.98 51.42 Favored Glycine 0 N--CA 1.473 1.118 0 C-N-CA 124.682 1.134 . . . . 0.0 113.375 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 22.1 p80 -152.8 155.91 38.05 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.641 -0.917 . . . . 0.0 113.124 -175.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -83.09 -11.22 58.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.729 1.212 . . . . 0.0 114.029 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.14 -39.17 92.65 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -18.04 98.25 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 128.521 2.728 . . . . 0.0 113.898 -168.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--N 1.352 0.717 0 C-N-CA 123.798 2.999 . . . . 0.0 112.071 -162.093 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.437 HG23 ' H ' ' A' ' 3' ' ' VAL . 8.7 tt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 2' ' ' ILE . 8.2 p -66.98 -25.37 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.798 0.839 . . . . 0.0 111.857 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.44 -17.83 60.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.289 1.436 . . . . 0.0 112.74 171.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -106.06 -52.63 2.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.381 1.472 . . . . 0.0 110.103 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.83 -31.21 70.64 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -72.52 -16.26 61.78 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.126 -0.983 . . . . 0.0 113.579 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -125.43 -13.78 6.53 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.655 1.582 . . . . 0.0 114.073 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -147.1 155.89 42.55 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.052 1.741 . . . . 0.0 110.798 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -79.95 125.81 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 120.509 -1.37 . . . . 0.0 113.213 -162.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.11 95.52 6.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -83.74 168.93 15.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.201 1.0 . . . . 0.0 112.311 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -44.93 -44.61 9.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.956 1.702 . . . . 0.0 115.453 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.93 -23.63 62.29 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -90.06 -37.93 13.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.53 -35.55 72.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.404 1.081 . . . . 0.0 112.425 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.07 -26.19 65.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.944 0.897 . . . . 0.0 112.745 175.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -64.51 -18.58 64.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.059 -1.026 . . . . 0.0 113.354 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.93 7.09 29.82 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.046 1.338 . . . . 0.0 112.597 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -72.39 137.89 46.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.681 1.193 . . . . 0.0 111.235 175.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.614 -0.679 . . . . 0.0 111.883 177.252 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 m 61.39 148.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 130.714 3.606 . . . . 0.0 115.285 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -63.92 129.97 42.19 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.569 -0.707 . . . . 0.0 110.659 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -169.21 171.02 8.29 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.833 1.253 . . . . 0.0 109.938 -168.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.65 58.13 1.35 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.258 1.023 . . . . 0.0 111.286 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.04 133.4 38.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.866 2.066 . . . . 0.0 113.242 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t -155.27 141.94 18.89 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.353 0.661 . . . . 0.0 111.155 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.09 -129.1 45.71 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.711 0.672 . . . . 0.0 112.344 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -53.23 -47.1 69.27 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.617 1.167 . . . . 0.0 112.657 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -40.49 67.51 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.881 -1.137 . . . . 0.0 112.495 178.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -69.59 -41.93 75.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.95 0.9 . . . . 0.0 111.429 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.61 -45.45 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.091 0.86 . . . . 0.0 111.73 174.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.96 -46.84 87.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.54 1.136 . . . . 0.0 110.781 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.09 69.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.296 1.038 . . . . 0.0 111.971 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.68 -43.55 80.55 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.478 0.711 . . . . 0.0 111.57 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.18 -43.82 97.16 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.69 -32.96 73.14 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.423 -0.798 . . . . 0.0 112.631 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.21 -54.27 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.338 1.055 . . . . 0.0 111.219 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.25 -29.11 60.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -158.4 41.4 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.177 1.37 . . . . 0.0 112.607 -172.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.7 -11.32 11.39 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.26 -25.28 65.1 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.555 1.142 . . . . 0.0 113.021 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.68 -170.13 52.96 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.73 1.157 . . . . 0.0 113.767 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -148.1 154.87 40.77 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.391 1.076 . . . . 0.0 112.457 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -81.31 -10.59 59.54 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.642 1.177 . . . . 0.0 114.173 -175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.79 -38.24 88.48 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -20.19 99.92 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.3 2.64 . . . . 0.0 113.9 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo . . . . . 0 C--N 1.353 0.779 0 C-N-CA 123.845 3.03 . . . . 0.0 112.138 -164.676 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.37 -27.39 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -163.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.26 -6.96 26.66 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.702 1.201 . . . . 0.0 113.25 175.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -120.63 -48.26 2.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.277 1.431 . . . . 0.0 110.556 167.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -79.29 -2.06 39.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -170.263 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.49 -22.6 11.58 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 163.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -91.8 -24.82 19.28 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.385 1.474 . . . . 0.0 113.367 -173.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -149.65 -172.94 4.27 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.167 1.387 . . . . 0.0 111.674 178.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.8 134.12 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.151 0.98 . . . . 0.0 110.545 177.432 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 t -140.37 149.19 42.37 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.268 1.027 . . . . 0.0 111.243 174.026 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -149.11 156.86 42.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.516 -149.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -49.72 -44.61 48.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.646 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -72.08 -22.3 61.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.31 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.55 -44.81 11.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.435 1.094 . . . . 0.0 110.064 172.021 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.98 -34.29 71.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.502 1.521 . . . . 0.0 113.407 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.96 -27.45 65.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.514 0.726 . . . . 0.0 112.822 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -63.72 -18.26 63.84 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.69 7.4 30.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.847 1.259 . . . . 0.0 112.534 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -67.96 145.2 54.76 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.412 1.085 . . . . 0.0 111.395 174.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.898 0.879 . . . . 0.0 112.682 -176.713 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -138.76 149.25 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.393 1.877 . . . . 0.0 108.874 178.51 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -42.15 116.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.573 1.949 . . . . 0.0 113.039 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -163.86 -177.09 4.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.753 2.021 . . . . 0.0 109.388 -173.297 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -78.34 -11.19 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -175.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt 55.16 -153.43 0.32 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.597 2.359 . . . . 0.0 111.508 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t 86.53 -28.72 0.06 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.565 2.346 . . . . 0.0 114.87 157.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.38 69.83 2.24 Favored Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.261 1.41 . . . . 0.0 111.634 176.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m 75.17 -4.79 2.3 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.156 2.582 . . . . 0.0 112.817 -169.022 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.37 -154.4 0.19 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.733 2.013 . . . . 0.0 112.921 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 76.9 -54.68 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.242 3.017 . . . . 0.0 110.864 170.593 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.93 -43.29 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.622 1.169 . . . . 0.0 110.365 161.19 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.61 -45.53 89.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.141 1.376 . . . . 0.0 111.039 175.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.05 71.34 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.832 0.853 . . . . 0.0 111.135 176.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.45 -46.54 76.77 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.614 0.765 . . . . 0.0 111.905 175.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.1 -43.79 95.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.585 0.63 . . . . 0.0 112.468 175.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.91 -36.03 75.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.642 0.777 . . . . 0.0 112.517 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.02 -53.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.204 1.002 . . . . 0.0 111.204 173.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t -71.09 -22.55 62.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.424 1.089 . . . . 0.0 113.746 -174.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.0 3.19 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.199 1.857 . . . . 0.0 114.534 168.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -164.71 158.35 17.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.978 1.311 . . . . 0.0 112.576 -176.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 73.83 4.0 4.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.822 2.449 . . . . 0.0 114.409 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.37 -144.6 19.98 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 125.218 1.389 . . . . 0.0 114.232 169.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -172.78 162.47 4.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.595 1.958 . . . . 0.0 111.702 -172.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -87.88 -8.88 55.22 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.82 -41.96 95.34 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.7 p -11.07 91.71 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 129.185 2.994 . . . . 0.0 114.125 -171.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--N 1.353 0.784 0 C-N-CA 123.836 3.024 . . . . 0.0 112.359 -166.343 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.76 -26.81 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.803 1.641 . . . . 0.0 113.311 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.31 -14.1 60.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.235 1.014 . . . . 0.0 112.806 176.234 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -109.12 -84.26 0.55 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.692 1.597 . . . . 0.0 108.903 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -56.41 -40.36 74.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -161.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.8 -18.05 62.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -111.66 -30.98 7.13 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.372 1.869 . . . . 0.0 112.086 -173.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -156.33 147.88 22.66 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.803 1.641 . . . . 0.0 111.126 -176.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 mt -68.0 132.35 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.542 -0.724 . . . . 0.0 112.5 -161.142 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -122.08 163.16 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.319 1.448 . . . . 0.0 111.833 176.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -146.19 174.38 11.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.287 1.435 . . . . 0.0 110.768 -170.7 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.13 -45.59 8.3 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -72.48 -23.48 61.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.473 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -84.13 -47.36 10.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.568 1.147 . . . . 0.0 109.517 171.058 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.84 -32.47 69.44 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.728 1.611 . . . . 0.0 113.204 179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.0 -26.78 66.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.707 0.803 . . . . 0.0 113.065 177.135 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -64.67 -17.49 64.12 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.974 -1.079 . . . . 0.0 113.758 177.109 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.35 5.85 27.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.418 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.04 141.58 49.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.259 1.423 . . . . 0.0 111.297 175.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.472 0.668 0 O-C-N 121.478 -0.763 . . . . 0.0 111.655 177.25 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.4 t -127.22 142.76 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.862 1.665 . . . . 0.0 109.519 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.98 134.35 55.65 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.473 1.109 . . . . 0.0 113.285 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -177.77 179.61 0.87 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.459 2.704 . . . . 0.0 108.332 -173.075 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.62 58.74 1.84 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.967 0.907 . . . . 0.0 111.927 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 mt -49.23 129.48 18.21 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.51 1.924 . . . . 0.0 111.749 -173.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.22 142.96 22.89 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.267 0.627 . . . . 0.0 112.145 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.95 -123.47 28.4 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.329 0.49 . . . . 0.0 111.944 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -53.01 -53.09 55.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.544 1.138 . . . . 0.0 112.459 177.379 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -48.1 -43.43 30.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.902 1.281 . . . . 0.0 113.06 173.388 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.87 -38.37 57.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.822 0.849 . . . . 0.0 112.129 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.84 -42.5 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.986 0.915 . . . . 0.0 111.39 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.76 -47.74 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.723 1.209 . . . . 0.0 110.981 175.5 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.35 73.81 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.678 0.791 . . . . 0.0 111.554 177.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.33 -43.39 83.32 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.201 0.601 . . . . 0.0 111.956 176.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.53 -44.36 96.55 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.92 0.782 . . . . 0.0 112.432 174.151 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.63 -31.82 71.25 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.529 0.732 . . . . 0.0 112.609 -178.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.21 -54.65 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.143 0.977 . . . . 0.0 111.362 170.236 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.2 t -79.28 -34.87 42.12 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -166.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.53 -171.86 31.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.622 1.582 . . . . 0.0 113.68 -174.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.91 -15.11 58.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.507 1.523 . . . . 0.0 114.613 -174.105 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.2 -16.69 63.8 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.101 1.36 . . . . 0.0 114.057 171.216 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 -171.23 54.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.999 1.285 . . . . 0.0 114.345 171.061 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -147.8 159.84 43.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.295 1.438 . . . . 0.0 111.92 -174.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -84.82 -13.74 50.15 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -173.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -80.18 88.99 5.43 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.257 0.935 . . . . 0.0 111.097 171.132 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -118.44 88.94 35.12 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 124.543 1.137 . . . . 0.0 108.452 174.255 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--N 1.353 0.807 0 C-N-CA 124.039 3.159 . . . . 0.0 112.252 -169.934 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.4 -49.62 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.64 -45.56 86.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.253 0.621 . . . . 0.0 111.473 -174.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.73 -21.84 63.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.4 m -104.69 -31.25 9.45 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -100.85 -28.68 12.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.228 1.011 . . . . 0.0 113.322 -174.163 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -103.82 -44.12 5.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.082 1.353 . . . . 0.0 110.536 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.0 m -97.71 179.89 4.67 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.161 0.984 . . . . 0.0 111.745 163.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.5 mm -98.11 137.91 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.666 1.186 . . . . 0.0 110.23 174.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -126.65 167.48 15.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.722 1.209 . . . . 0.0 112.998 176.06 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -145.1 167.46 22.67 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.145 1.378 . . . . 0.0 112.603 -174.206 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -47.58 -45.43 27.25 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.451 1.901 . . . . 0.0 115.457 -173.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.38 -23.21 62.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.324 -0.86 . . . . 0.0 113.252 -176.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.34 -44.32 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.21 1.004 . . . . 0.0 110.156 170.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.48 -30.44 68.54 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.597 1.159 . . . . 0.0 113.468 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.95 -26.17 67.33 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.506 -0.746 . . . . 0.0 112.804 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 177.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.53 5.76 31.71 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 0.0 112.448 178.575 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.85 139.12 53.05 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.168 1.387 . . . . 0.0 111.442 174.575 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.758 0.789 . . . . 0.0 111.557 179.046 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.24 150.01 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.115 1.366 . . . . 0.0 109.781 175.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.82 127.72 24.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.388 1.075 . . . . 0.0 112.503 174.75 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -169.51 166.78 10.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.37 1.868 . . . . 0.0 109.684 -173.512 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -71.74 118.79 15.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.77 -0.581 . . . . 0.0 110.831 170.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.2 mt -108.02 122.88 47.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.738 1.615 . . . . 0.0 109.843 177.447 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.4 m -134.97 138.07 43.67 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.689 1.196 . . . . 0.0 110.094 -176.229 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -121.79 25.25 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.868 0.747 . . . . 0.0 112.932 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -53.52 -38.78 64.08 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.924 1.29 . . . . 0.0 113.419 177.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.6 94.93 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.207 -0.933 . . . . 0.0 111.627 177.095 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -43.36 74.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.377 1.471 . . . . 0.0 110.242 176.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.03 -49.23 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.321 1.049 . . . . 0.0 111.927 174.261 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.74 -32.52 69.71 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.058 0.844 . . . . 0.0 112.461 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.67 68.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.992 0.815 . . . . 0.0 111.296 171.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 24.0 mt -54.9 -44.93 74.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.663 0.785 . . . . 0.0 111.432 175.226 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.06 -40.75 98.64 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.23 -39.7 82.23 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.422 1.01 . . . . 0.0 111.82 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.11 -52.11 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.554 1.142 . . . . 0.0 110.851 175.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.32 -34.17 63.39 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -174.041 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.1 -161.01 39.18 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.004 1.288 . . . . 0.0 112.483 -170.403 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 -12.64 16.24 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.2 -30.89 70.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.902 1.281 . . . . 0.0 113.175 173.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 -173.19 47.39 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.433 1.016 . . . . 0.0 113.369 -177.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.6 p80 -144.98 158.22 43.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.324 1.05 . . . . 0.0 112.902 -174.704 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -85.08 -9.73 57.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.756 1.222 . . . . 0.0 114.181 -177.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.72 -37.22 86.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -175.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.3 p -21.61 99.84 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.377 0 C-N-CA 128.332 2.653 . . . . 0.0 113.537 -168.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo . . . . . 0 CA--C 1.542 0.905 0 C-N-CA 123.231 2.62 . . . . 0.0 111.411 -161.654 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.5 t -67.0 -21.01 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.927 1.291 . . . . 0.0 112.158 -178.499 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.23 -3.39 31.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.663 1.585 . . . . 0.0 112.49 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -133.29 -52.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.158 0.983 . . . . 0.0 112.319 -163.267 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.23 -45.25 6.58 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.566 1.146 . . . . 0.0 110.729 176.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 137.08 50.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.691 171.384 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p 76.74 7.23 3.26 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 128.682 2.793 . . . . 0.0 113.978 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -138.1 174.77 10.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.261 1.424 . . . . 0.0 111.141 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.23 116.87 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.224 -0.923 . . . . 0.0 109.258 174.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -136.79 95.72 3.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.057 0.943 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -88.34 174.9 7.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.816 1.246 . . . . 0.0 112.627 -177.637 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.54 -42.61 33.9 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -174.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -74.24 -22.15 59.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -82.72 -47.79 11.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 108.981 171.378 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.5 -36.54 69.29 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.322 1.849 . . . . 0.0 113.024 178.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.47 -27.24 65.94 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -63.95 -17.34 63.16 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.88 7.69 28.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.875 1.27 . . . . 0.0 112.166 176.285 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -73.81 166.17 23.8 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.005 0.922 . . . . 0.0 111.251 168.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.495 1.118 . . . . 0.0 114.005 177.11 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 p90 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.12 165.26 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 126.959 2.104 . . . . 0.0 108.721 -177.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -59.58 103.82 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 O-C-N 120.717 -1.239 . . . . 0.0 110.378 165.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -162.32 169.83 19.92 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.945 1.298 . . . . 0.0 110.555 -166.147 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.0 69.56 3.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.438 1.095 . . . . 0.0 112.525 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.21 134.9 57.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.128 1.371 . . . . 0.0 111.532 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 178.67 158.02 0.51 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.686 1.994 . . . . 0.0 111.941 168.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.74 63.62 4.03 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.395 1.474 . . . . 0.0 116.626 161.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -113.17 15.32 19.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.414 2.686 . . . . 0.0 112.741 3.485 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -46.06 -33.97 3.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.86 2.064 . . . . 0.0 114.301 -171.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -45.17 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.948 2.099 . . . . 0.0 112.547 172.894 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.02 -39.9 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.849 1.26 . . . . 0.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.92 -45.12 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 110.792 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.86 80.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.353 1.061 . . . . 0.0 111.698 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -57.97 -42.53 85.23 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.56 175.315 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -61.36 -43.1 99.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.421 1.009 . . . . 0.0 112.376 173.637 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.06 -35.15 79.21 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.45 -0.781 . . . . 0.0 112.685 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.61 -52.5 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.543 1.137 . . . . 0.0 111.778 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -79.18 -22.53 44.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.419 1.487 . . . . 0.0 114.273 -171.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.57 -165.37 42.4 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.181 1.848 . . . . 0.0 113.868 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -57.18 -17.35 10.82 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.999 1.719 . . . . 0.0 113.763 177.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -60.62 -35.63 76.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.82 1.648 . . . . 0.0 112.865 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.15 147.93 7.53 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.466 1.508 . . . . 0.0 113.495 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.73 163.31 12.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.935 1.694 . . . . 0.0 112.691 172.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -85.27 -15.45 43.4 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.518 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.25 -42.5 88.48 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -3.98 86.53 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.427 0 C-N-CA 129.269 3.028 . . . . 0.0 114.289 -176.086 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--N 1.353 0.766 0 C-N-CA 124.073 3.182 . . . . 0.0 112.378 -166.533 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.74 -25.86 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -176.543 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.03 -13.51 61.62 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.812 0.845 . . . . 0.0 112.342 176.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -100.83 -56.9 2.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.405 1.082 . . . . 0.0 110.401 172.273 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.88 -26.39 57.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.278 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.1 m -91.23 98.61 11.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 109.988 164.014 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -119.43 109.8 16.18 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.241 3.416 . . . . 0.0 109.611 -7.248 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -163.39 155.53 17.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.648 1.579 . . . . 0.0 110.66 175.055 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.2 123.98 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.955 -175.42 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.98 135.4 49.86 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.913 1.285 . . . . 0.0 110.837 174.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.9 m -133.52 161.34 34.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.187 0.995 . . . . 0.0 113.245 -168.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.67 -43.51 26.43 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -172.114 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -72.84 -23.78 60.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.22 -49.94 10.17 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.612 1.165 . . . . 0.0 108.608 170.529 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -29.48 66.68 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.683 1.593 . . . . 0.0 113.222 -178.58 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 23.5 tt0 -61.01 -27.17 68.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.358 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.25 -16.33 63.93 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.171 -0.956 . . . . 0.0 113.571 176.453 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -103.79 2.84 33.33 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.741 1.216 . . . . 0.0 112.268 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -69.77 147.72 50.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.591 0.756 . . . . 0.0 111.894 174.676 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.549 0.739 . . . . 0.0 111.946 178.74 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.51 151.77 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.945 1.698 . . . . 0.0 109.622 179.204 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -55.89 111.93 1.05 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.019 1.328 . . . . 0.0 110.854 174.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -162.26 175.7 11.36 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.338 1.055 . . . . 0.0 111.384 -169.098 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -76.44 70.76 3.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.142 1.377 . . . . 0.0 111.919 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.99 114.1 1.97 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.984 1.314 . . . . 0.0 112.273 -170.699 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -170.13 145.23 2.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.395 0.678 . . . . 0.0 111.739 -162.441 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.3 -98.98 0.68 Allowed Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.397 0.999 . . . . 0.0 112.787 170.028 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -77.25 18.39 0.4 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.287 1.835 . . . . 0.0 113.453 172.282 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 168.76 25.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 128.256 2.622 . . . . 0.0 112.162 179.143 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.7 tp 111.97 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.69 1 C-N-CA 132.909 4.484 . . . . 0.0 112.012 175.436 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.12 -37.41 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.033 0.933 . . . . 0.0 109.758 172.6 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -60.98 -52.98 62.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.256 3.422 . . . . 0.0 110.388 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -51.05 68.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.853 1.261 . . . . 0.0 111.555 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.6 mt -53.89 -48.07 70.46 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.095 0.558 . . . . 0.0 110.259 174.626 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.14 -40.24 84.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.449 1.022 . . . . 0.0 113.277 175.19 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.82 -35.3 78.37 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.075 -1.016 . . . . 0.0 112.813 176.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.17 -54.6 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.69 1.196 . . . . 0.0 111.166 174.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.36 -21.79 48.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.43 1.892 . . . . 0.0 114.683 -170.41 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.57 -162.73 54.16 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.615 1.102 . . . . 0.0 113.053 -175.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.56 -20.05 59.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.037 1.335 . . . . 0.0 113.194 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -65.3 -27.78 68.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.48 1.112 . . . . 0.0 112.63 173.676 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -164.45 54.77 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.121 1.343 . . . . 0.0 115.091 170.158 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 17.2 p80 -145.14 164.13 32.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.818 2.047 . . . . 0.0 111.745 -173.079 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -89.17 -9.38 51.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -175.325 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.16 -46.21 78.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.274 0.943 . . . . 0.0 112.82 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -2.06 83.79 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 C-N-CA 129.221 3.008 . . . . 0.0 114.523 -177.015 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--N 1.351 0.68 0 C-N-CA 124.057 3.171 . . . . 0.0 112.225 -168.828 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -77.37 117.65 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 160.511 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 60.55 98.14 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.586 1.554 . . . . 0.0 108.582 -138.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.16 -39.72 94.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 129.345 3.058 . . . . 0.0 114.826 10.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.6 m -68.97 149.91 48.29 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.383 0.992 . . . . 0.0 112.365 -168.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t 72.31 -35.61 0.33 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.42 2.288 . . . . 0.0 113.497 -177.497 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -71.73 -40.28 69.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.949 1.7 . . . . 0.0 110.109 165.821 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -140.48 -177.54 5.09 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.71 1.604 . . . . 0.0 111.828 173.018 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.06 137.07 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.918 1.287 . . . . 0.0 110.557 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.16 144.9 46.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 112.003 162.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -148.08 161.56 41.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.322 2.249 . . . . 0.0 108.956 -172.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.07 -44.29 20.82 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -170.13 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -72.44 -22.88 61.03 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.731 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -88.61 -41.25 12.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.372 1.069 . . . . 0.0 110.462 171.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.09 -33.0 71.49 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.386 1.475 . . . . 0.0 113.063 177.411 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.02 -26.69 64.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.647 1.179 . . . . 0.0 112.919 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.66 -17.62 63.12 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.149 -0.969 . . . . 0.0 113.609 174.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -108.35 7.94 27.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.613 1.565 . . . . 0.0 112.416 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -79.11 142.3 36.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.676 1.19 . . . . 0.0 111.395 175.82 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 123.854 0.862 . . . . 0.0 112.342 -179.116 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t 76.19 132.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 128.743 2.817 . . . . 0.0 112.151 173.218 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -58.15 126.2 26.46 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.313 1.045 . . . . 0.0 112.056 173.428 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -171.2 177.52 3.6 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.764 1.626 . . . . 0.0 109.914 -172.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -75.04 64.8 1.39 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.925 1.29 . . . . 0.0 111.336 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -55.49 122.75 11.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.771 1.628 . . . . 0.0 112.379 -173.667 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -176.5 3.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.708 1.603 . . . . 0.0 109.643 176.383 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.21 133.39 26.23 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 111.111 173.762 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -88.68 -14.67 36.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.346 3.058 . . . . 0.0 114.79 -0.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -38.81 10.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.084 1.754 . . . . 0.0 114.616 -174.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.33 77.72 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.684 1.594 . . . . 0.0 111.635 177.116 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.22 -44.97 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.428 1.091 . . . . 0.0 110.45 175.196 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.34 -45.48 92.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.295 1.038 . . . . 0.0 110.774 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.92 70.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.768 1.227 . . . . 0.0 112.024 176.048 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.92 -37.76 80.39 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.971 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -65.1 -41.34 95.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.588 1.085 . . . . 0.0 112.503 172.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.26 -38.66 91.0 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.19 0.905 . . . . 0.0 112.251 176.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.66 -52.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.587 1.155 . . . . 0.0 111.608 176.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.16 -20.16 27.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.259 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.03 -168.38 50.73 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.988 1.28 . . . . 0.0 114.217 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.96 -17.51 63.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.378 1.471 . . . . 0.0 114.506 -173.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -5.84 45.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 175.565 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 -178.18 51.71 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.926 1.25 . . . . 0.0 114.718 167.308 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -143.72 159.18 42.96 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 126.123 1.769 . . . . 0.0 112.067 -175.443 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -85.69 -9.49 57.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -64.37 -40.33 95.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.005 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -15.05 95.09 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.908 2.883 . . . . 0.0 113.966 -169.188 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 C--N 1.353 0.803 0 C-N-CA 123.843 3.029 . . . . 0.0 112.359 -164.337 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.44 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.307 0.099 . . . . 0.0 111.097 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.09 -19.82 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 1 C-N-CA 132.749 4.42 . . . . 0.0 115.522 1.051 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.63 165.13 12.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.206 1.002 . . . . 0.0 112.383 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 77.48 -58.86 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.48 2.712 . . . . 0.0 109.985 -176.77 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.13 -38.46 69.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.749 0.82 . . . . 0.0 112.75 -176.284 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.34 -21.56 53.17 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 167.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -83.18 -37.34 23.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.853 1.661 . . . . 0.0 112.359 -171.379 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -140.92 -167.76 2.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.929 1.292 . . . . 0.0 111.917 -178.028 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.21 123.04 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 120.992 -1.068 . . . . 0.0 110.577 176.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -119.56 148.92 42.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.505 1.522 . . . . 0.0 111.619 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 m -157.55 161.66 38.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.347 1.459 . . . . 0.0 110.786 -165.374 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -42.0 -48.76 4.64 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.096 1.758 . . . . 0.0 115.716 -178.243 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -70.21 -25.31 63.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -82.97 -43.45 16.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.302 1.041 . . . . 0.0 109.91 171.66 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.38 -35.86 72.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.167 1.387 . . . . 0.0 112.616 177.11 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 25.6 tt0 -60.08 -26.51 66.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.632 0.773 . . . . 0.0 113.054 177.819 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.9 -20.15 65.63 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.286 -0.884 . . . . 0.0 113.364 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD2' HD12 ' A' ' 2' ' ' ILE . 9.9 m-85 -105.55 8.14 33.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.971 1.308 . . . . 0.0 112.406 179.592 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 86.2 m -72.1 151.28 43.17 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.377 -0.827 . . . . 0.0 112.399 175.647 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 111.656 174.61 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 p90 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 t 77.69 144.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.984 2.514 . . . . 0.0 111.692 174.272 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -50.88 130.33 25.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.307 1.443 . . . . 0.0 112.96 175.579 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -169.92 167.46 9.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.98 1.312 . . . . 0.0 111.149 -172.09 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -73.94 118.74 17.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 164.486 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 tp -132.39 124.05 27.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.964 0.906 . . . . 0.0 110.506 -158.588 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -155.77 150.98 26.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.691 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.97 -126.12 25.98 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 123.931 0.777 . . . . 0.0 112.216 177.109 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -53.86 -42.96 69.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.016 0.926 . . . . 0.0 112.246 175.794 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -56.91 -42.33 79.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.135 0.974 . . . . 0.0 112.014 175.317 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.47 -46.46 69.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.762 0.825 . . . . 0.0 110.779 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.22 -46.65 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 118.591 0.632 . . . . 0.0 112.267 178.04 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.72 -37.96 82.94 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.33 0.514 . . . . 0.0 111.856 -177.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.44 66.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.126 0.971 . . . . 0.0 112.026 175.561 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 39.1 mt -54.34 -49.38 69.87 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 118.82 -0.609 . . . . 0.0 109.949 174.827 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.13 -40.59 81.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.409 1.004 . . . . 0.0 113.133 174.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.88 -38.92 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.404 1.002 . . . . 0.0 112.519 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.66 -54.44 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.063 1.345 . . . . 0.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -75.38 -23.59 57.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.059 1.744 . . . . 0.0 114.367 -172.076 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.13 52.29 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.571 1.081 . . . . 0.0 113.125 -177.333 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.62 -21.0 59.81 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.164 1.385 . . . . 0.0 113.416 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.85 -30.74 71.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.555 1.142 . . . . 0.0 112.564 173.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.41 -162.09 54.46 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.039 1.304 . . . . 0.0 114.508 174.584 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 15.6 p80 -149.95 158.48 44.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.505 1.922 . . . . 0.0 111.517 -173.384 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -81.96 -15.03 55.18 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -81.47 100.83 9.53 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.247 1.019 . . . . 0.0 111.782 177.721 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.7 p -132.34 83.72 54.1 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 124.604 1.162 . . . . 0.0 108.48 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo . . . . . 0 CA--C 1.542 0.913 0 C-N-CA 123.764 2.976 . . . . 0.0 112.244 -164.568 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.31 -36.33 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.1 0.56 . . . . 0.0 110.774 -175.452 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.51 -54.22 26.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.247 0.619 . . . . 0.0 109.952 178.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.12 -38.05 81.8 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -76.71 -22.66 53.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.015 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -92.44 -22.75 19.44 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.797 1.181 . . . . 0.0 113.163 178.555 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -97.21 -18.76 19.05 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.911 1.284 . . . . 0.0 113.956 175.614 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -141.67 176.83 8.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.801 1.24 . . . . 0.0 112.041 175.078 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.31 133.06 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.804 -1.185 . . . . 0.0 111.16 -177.656 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 m -117.62 148.3 42.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.897 0.879 . . . . 0.0 111.919 163.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 m -150.01 160.81 43.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.038 1.735 . . . . 0.0 110.217 -168.053 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -48.45 -44.51 35.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.81 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.29 -22.48 61.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.335 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -87.0 -42.69 12.91 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.523 1.129 . . . . 0.0 110.166 171.244 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.93 -31.53 71.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.951 1.3 . . . . 0.0 113.33 178.326 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.9 -26.62 64.47 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.993 0.917 . . . . 0.0 112.855 177.477 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -64.56 -17.1 63.64 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.401 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -106.53 6.91 30.55 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 0.0 112.645 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.66 141.14 49.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.841 1.257 . . . . 0.0 111.416 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.537 -0.727 . . . . 0.0 111.481 174.989 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.08 157.8 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.111 1.764 . . . . 0.0 110.528 174.525 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -53.24 129.85 32.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 113.217 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -176.4 -172.72 0.49 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.753 2.421 . . . . 0.0 109.105 -174.705 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.78 117.51 19.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.541 0.737 . . . . 0.0 110.55 169.5 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.17 117.91 35.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.748 2.019 . . . . 0.0 110.04 -178.014 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 29.2 m -131.19 127.23 37.51 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.011 1.324 . . . . 0.0 110.019 -177.018 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -115.42 7.75 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 123.77 0.7 . . . . 0.0 113.489 171.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.7 p -53.84 -51.08 64.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.562 1.145 . . . . 0.0 112.428 178.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -53.02 -40.8 64.14 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.028 -1.045 . . . . 0.0 113.081 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.27 -46.3 74.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.511 0.724 . . . . 0.0 111.187 176.552 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.2 t -61.68 -44.63 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.896 0.771 . . . . 0.0 112.149 176.441 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.04 -46.92 87.01 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.946 1.298 . . . . 0.0 110.982 178.593 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.52 78.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.777 0.831 . . . . 0.0 112.143 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.66 -41.86 77.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.505 0.722 . . . . 0.0 111.656 176.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.93 -40.73 91.66 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 173.344 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.32 -35.97 80.52 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.519 1.054 . . . . 0.0 112.384 177.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.6 -56.19 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.441 1.096 . . . . 0.0 111.156 174.118 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.4 t -77.56 -25.0 49.72 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.014 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.8 -158.39 42.8 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.369 1.462 . . . . 0.0 112.88 -176.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.84 -7.88 9.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.162 1.385 . . . . 0.0 114.058 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -58.4 -30.34 66.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.421 1.488 . . . . 0.0 112.869 170.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.23 -176.34 41.26 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.721 1.153 . . . . 0.0 112.815 -173.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -146.31 158.79 43.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.585 1.154 . . . . 0.0 111.727 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -79.06 -13.58 59.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -174.174 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -81.74 83.26 7.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.325 -0.859 . . . . 0.0 111.565 171.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -113.85 89.29 15.91 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 124.733 1.213 . . . . 0.0 109.742 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo . . . . . 0 C--N 1.352 0.717 0 C-N-CA 123.687 2.925 . . . . 0.0 112.176 -176.521 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.18 -22.54 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.718 1.607 . . . . 0.0 111.991 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.79 -15.48 63.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.267 1.027 . . . . 0.0 112.878 176.245 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.3 -45.81 1.0 Allowed 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.427 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -80.76 -33.12 35.26 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.49 1.495 . . . . 0.0 113.216 -171.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -86.69 106.0 17.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.169 0.988 . . . . 0.0 110.24 167.17 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -122.61 109.08 13.84 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.37 3.068 . . . . 0.0 107.88 -4.688 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -162.71 178.75 8.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.349 1.459 . . . . 0.0 111.175 -174.561 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.83 125.13 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.521 -0.737 . . . . 0.0 109.877 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.86 148.1 52.59 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.453 1.101 . . . . 0.0 110.814 165.277 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -138.19 164.3 29.53 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.309 1.444 . . . . 0.0 110.99 -168.788 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.65 -45.42 13.98 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -170.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -72.27 -21.22 61.4 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -88.57 -45.13 10.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.473 1.109 . . . . 0.0 109.907 170.493 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.33 -31.76 72.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.321 1.448 . . . . 0.0 113.444 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.86 -27.77 66.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.095 0.958 . . . . 0.0 112.911 177.704 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.04 -17.27 62.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.217 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -107.3 7.59 29.33 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.054 1.342 . . . . 0.0 112.206 175.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.66 142.33 51.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.87 0.868 . . . . 0.0 110.619 171.16 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -167.893 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.1 t -134.29 147.57 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.583 1.953 . . . . 0.0 108.222 176.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -49.42 124.22 8.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.479 1.112 . . . . 0.0 112.9 178.405 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -168.45 174.66 6.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.068 2.147 . . . . 0.0 108.828 -172.595 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -72.28 98.99 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.905 -0.497 . . . . 0.0 111.79 178.231 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.06 162.48 19.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.586 1.154 . . . . 0.0 111.521 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 27.0 t -176.73 160.07 1.89 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.481 2.312 . . . . 0.0 109.573 157.474 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.64 -126.53 42.49 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 123.961 0.791 . . . . 0.0 113.151 169.876 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -52.61 -46.79 67.17 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.361 1.064 . . . . 0.0 112.434 176.031 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -35.0 73.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.575 -1.328 . . . . 0.0 113.047 177.182 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -73.46 -37.87 65.64 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.664 0.786 . . . . 0.0 111.582 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.88 -44.48 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.597 0.759 . . . . 0.0 111.442 169.671 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.32 -45.95 90.93 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.883 1.273 . . . . 0.0 111.01 177.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.27 69.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.807 0.843 . . . . 0.0 111.524 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.92 -42.82 80.68 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.942 0.497 . . . . 0.0 111.927 176.848 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.6 -44.4 97.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.641 0.776 . . . . 0.0 112.197 174.608 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.76 -31.54 69.55 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.311 -0.868 . . . . 0.0 112.778 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.03 -54.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.177 0.991 . . . . 0.0 111.59 172.253 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -73.37 -30.03 63.02 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.483 1.113 . . . . 0.0 113.949 -171.219 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 -160.02 16.94 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.778 1.656 . . . . 0.0 112.964 -178.006 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.02 -17.6 64.99 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.816 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -69.27 132.94 47.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.812 1.645 . . . . 0.0 111.53 170.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.62 117.45 4.41 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.299 0.952 . . . . 0.0 112.873 -173.779 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -65.56 160.48 22.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.809 1.244 . . . . 0.0 113.634 172.172 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -86.28 -9.31 56.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -173.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.14 -40.92 95.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.717 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.9 p -20.72 99.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 128.443 2.697 . . . . 0.0 113.751 -167.061 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo . . . . . 0 C--N 1.353 0.768 0 C-N-CA 123.658 2.905 . . . . 0.0 112.545 -164.065 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.12 -31.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.857 1.263 . . . . 0.0 110.849 -177.508 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.18 -19.63 61.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.404 1.882 . . . . 0.0 113.047 174.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -104.88 -55.24 2.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.812 1.245 . . . . 0.0 110.19 171.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.3 m -63.0 -30.44 71.6 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -172.726 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.6 -13.46 51.58 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.055 -1.028 . . . . 0.0 113.15 174.65 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.7 m -102.31 -34.59 9.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.601 1.96 . . . . 0.0 111.889 -173.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -145.51 177.67 8.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.817 . . . . 0.0 111.624 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.19 133.09 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.042 -1.036 . . . . 0.0 110.275 177.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.39 127.2 37.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.847 0.832 . . . . 0.0 112.523 166.465 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.7 m -121.2 174.77 6.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.676 1.591 . . . . 0.0 112.225 -171.725 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.66 -47.5 3.96 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -176.268 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -70.96 -24.31 62.39 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.697 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.71 -45.33 14.58 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.676 1.19 . . . . 0.0 109.206 170.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.84 -32.63 72.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.65 1.58 . . . . 0.0 113.352 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.81 -26.63 64.29 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.774 0.829 . . . . 0.0 112.878 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -64.51 -17.19 63.67 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 176.521 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -107.7 6.6 27.84 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.124 1.369 . . . . 0.0 112.542 176.54 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.41 139.0 49.57 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.74 1.216 . . . . 0.0 111.103 175.63 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 111.451 175.868 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.96 145.21 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.128 1.371 . . . . 0.0 110.916 -177.532 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.2 98.76 1.76 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.878 1.271 . . . . 0.0 110.074 172.399 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -156.34 -174.75 5.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 -172.461 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -80.9 70.16 7.64 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.239 1.416 . . . . 0.0 111.663 -177.047 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.89 121.11 8.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.143 1.377 . . . . 0.0 111.701 -171.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -164.18 -110.72 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.271 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.25 107.72 3.58 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.368 1.461 . . . . 0.0 112.185 -178.118 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -111.51 126.36 54.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.869 2.868 . . . . 0.0 110.152 -10.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -176.49 -159.5 0.06 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.169 2.588 . . . . 0.0 110.76 -167.688 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp 75.79 -50.05 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.212 3.005 . . . . 0.0 112.214 166.549 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.0 -47.72 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.119 1.367 . . . . 0.0 110.841 167.574 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.87 -37.77 82.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.29 0.636 . . . . 0.0 112.166 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.59 75.79 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.556 -0.715 . . . . 0.0 111.94 172.509 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.3 mt -57.7 -42.12 83.05 Favored 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 123.839 0.856 . . . . 0.0 111.905 176.878 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -63.43 -43.02 98.65 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.845 0.748 . . . . 0.0 112.458 173.367 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.77 -32.89 72.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.06 0.845 . . . . 0.0 112.519 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -72.33 -56.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 172.319 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.42 -25.57 46.09 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -169.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.12 -158.09 41.8 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.402 1.477 . . . . 0.0 113.047 -176.353 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.39 -14.04 16.63 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.814 1.646 . . . . 0.0 113.781 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -55.75 -31.14 62.29 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.781 1.632 . . . . 0.0 113.346 173.668 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.28 -173.66 48.49 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.69 1.138 . . . . 0.0 113.043 -174.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 28.0 p80 -152.61 161.36 42.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.524 1.13 . . . . 0.0 112.228 -176.691 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -86.91 -11.64 50.06 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.329 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -81.45 82.16 7.34 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.357 0.98 . . . . 0.0 111.209 170.139 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -113.41 89.3 14.66 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 124.854 1.262 . . . . 0.0 109.069 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.351 0.71 0 C-N-CA 123.655 2.903 . . . . 0.0 111.973 -174.324 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.4 tt -49.41 -41.0 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.999 1.72 . . . . 0.0 114.568 -171.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.28 -28.45 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.398 1.479 . . . . 0.0 111.977 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.39 -15.01 62.35 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.613 1.165 . . . . 0.0 113.073 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -119.18 -46.91 2.5 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.605 1.162 . . . . 0.0 111.645 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -100.95 3.27 41.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -164.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.93 -21.24 13.66 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 158.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -93.78 -31.58 14.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.402 1.881 . . . . 0.0 112.476 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -143.83 -158.78 0.91 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.229 2.212 . . . . 0.0 110.076 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.53 126.36 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 124.57 1.148 . . . . 0.0 111.884 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 134.77 34.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.266 0.626 . . . . 0.0 109.605 159.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 162.32 23.36 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.492 1.117 . . . . 0.0 110.282 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -46.77 -43.67 18.38 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -72.87 -23.43 60.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -86.57 -43.51 12.63 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.259 1.024 . . . . 0.0 110.218 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.51 -36.85 69.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.614 1.565 . . . . 0.0 112.634 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.26 -27.5 67.29 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.67 -19.82 65.21 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.157 -0.964 . . . . 0.0 113.554 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -104.76 4.67 32.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.727 1.211 . . . . 0.0 112.025 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.08 146.39 53.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.051 0.94 . . . . 0.0 110.27 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.163 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.59 144.65 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.078 1.751 . . . . 0.0 108.982 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -53.36 121.63 8.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.07 1.348 . . . . 0.0 111.931 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -164.73 178.14 7.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.922 1.689 . . . . 0.0 110.243 -172.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.81 71.74 1.5 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.248 1.019 . . . . 0.0 111.952 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.64 167.2 2.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.277 1.831 . . . . 0.0 111.721 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.9 t -177.41 153.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.801 2.44 . . . . 0.0 110.208 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.61 -123.69 34.05 Favored Glycine 0 N--CA 1.469 0.883 0 C-N-CA 124.046 0.832 . . . . 0.0 113.318 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -54.42 -48.96 71.04 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.71 1.204 . . . . 0.0 112.584 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -35.64 72.39 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.619 -1.301 . . . . 0.0 112.47 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -43.49 67.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.296 1.038 . . . . 0.0 110.501 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.14 -43.0 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 0.0 111.856 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.82 -46.07 86.75 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.827 1.251 . . . . 0.0 111.184 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.32 78.02 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.008 0.923 . . . . 0.0 111.354 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.2 mt -56.34 -44.54 80.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 175.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.05 -42.25 99.68 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.636 0.653 . . . . 0.0 112.413 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.1 -32.38 71.75 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.393 -0.817 . . . . 0.0 112.654 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.64 -56.48 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.343 1.057 . . . . 0.0 111.571 172.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -74.25 -26.07 60.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.651 1.18 . . . . 0.0 113.957 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.86 -161.6 38.37 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.785 1.659 . . . . 0.0 113.087 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.05 -16.79 20.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.626 1.571 . . . . 0.0 113.662 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -49.25 -46.37 45.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.457 1.903 . . . . 0.0 113.664 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 169.89 46.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.052 0.834 . . . . 0.0 113.571 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 31.6 p80 -144.05 162.51 36.04 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.73 1.612 . . . . 0.0 112.661 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -88.29 -19.52 26.64 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -79.5 104.76 10.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.542 1.064 . . . . 0.0 111.085 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -135.85 100.0 11.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.54 1.136 . . . . 0.0 108.314 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.85 163.05 29.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.91 3.073 . . . . 0.0 112.198 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -71.74 135.29 46.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.97 0.508 . . . . 0.0 111.886 167.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.048 1.739 . . . . 0.0 113.078 174.809 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.57 -35.44 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -170.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -28.24 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.165 0.986 . . . . 0.0 111.796 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -78.46 -46.28 20.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.523 0.729 . . . . 0.0 110.791 169.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 20.4 pt20 -159.27 120.35 3.25 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.274 1.03 . . . . 0.0 111.519 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -89.29 117.01 27.93 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 128.212 2.605 . . . . 0.0 114.287 -10.749 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.66 134.82 34.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.112 1.765 . . . . 0.0 107.398 155.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.429 ' H ' ' HB2' ' B' ' 7' ' ' CYS . 6.7 m 65.83 47.26 2.1 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.302 1.841 . . . . 0.0 108.901 -170.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -154.68 157.95 38.88 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.047 1.739 . . . . 0.0 109.775 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.51 -34.15 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.145 0.978 . . . . 0.0 112.511 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.9 t 51.01 63.73 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.336 1.454 . . . . 0.0 113.108 162.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -70.66 163.59 26.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.26 -42.68 31.26 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.86 1.664 . . . . 0.0 115.485 -173.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -72.02 -23.71 61.44 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.439 -0.788 . . . . 0.0 113.052 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -85.78 -39.49 17.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.389 1.076 . . . . 0.0 110.737 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.06 -35.64 71.64 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.561 1.144 . . . . 0.0 112.798 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.1 -26.06 65.92 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.14 -21.32 66.12 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.11 -0.994 . . . . 0.0 113.602 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.6 9.17 31.47 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.098 1.359 . . . . 0.0 112.132 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.73 149.6 38.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.065 0.946 . . . . 0.0 111.74 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.156 0.982 . . . . 0.0 111.583 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.5 p90 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.61 150.47 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.319 1.847 . . . . 0.0 109.095 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -57.97 112.37 1.48 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.76 0.791 . . . . 0.0 111.165 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -174.11 153.51 2.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.605 1.962 . . . . 0.0 107.186 -161.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -65.75 104.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.312 0.96 . . . . 0.0 112.242 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.7 139.62 30.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.563 1.145 . . . . 0.0 111.104 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 8' ' ' THR . 8.3 t -164.09 147.24 9.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 109.916 166.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.06 31.01 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 118.638 0.653 . . . . 0.0 112.108 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -52.93 -53.3 51.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.537 1.135 . . . . 0.0 112.811 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -47.61 -44.75 26.87 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.236 1.414 . . . . 0.0 113.117 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.6 -43.09 66.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.56 1.144 . . . . 0.0 111.36 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.92 -45.42 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.236 1.014 . . . . 0.0 111.965 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.48 -45.21 94.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.449 1.099 . . . . 0.0 111.083 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.58 74.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.754 0.822 . . . . 0.0 111.978 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.87 -44.22 77.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.815 0.846 . . . . 0.0 112.142 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' B' ' 21' ' ' GLU . 48.2 t80 -62.97 -38.55 91.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.888 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.43 -45.47 69.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.852 0.861 . . . . 0.0 112.185 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.55 -50.23 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.286 1.034 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.3 t -68.45 -20.04 64.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.926 0.89 . . . . 0.0 112.835 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.75 4.04 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.819 1.2 . . . . 0.0 113.112 162.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 31.0 mt-10 76.26 -3.31 2.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.318 2.247 . . . . 0.0 113.299 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -95.91 -13.29 24.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.124 2.17 . . . . 0.0 113.804 -173.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 162.64 27.17 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 125.627 1.584 . . . . 0.0 111.466 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -167.8 169.38 11.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 130.574 3.55 . . . . 0.0 110.738 3.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -76.6 -17.42 59.21 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -83.24 85.2 7.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.116 0.871 . . . . 0.0 111.651 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.1 p -114.44 86.54 12.46 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.291 1.036 . . . . 0.0 109.563 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.43 165.51 32.29 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.288 3.326 . . . . 0.0 111.99 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -79.18 23.02 0.39 Allowed 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 127.303 2.241 . . . . 0.0 112.33 -179.343 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 121.171 0.317 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt -86.97 -52.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.348 1.059 . . . . 0.0 113.756 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.95 -27.29 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.368 -0.832 . . . . 0.0 112.651 -168.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.02 -15.13 63.53 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -94.8 -57.69 2.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.206 1.002 . . . . 0.0 109.795 173.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.79 -24.15 64.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.67 87.98 2.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.94 1.296 . . . . 0.0 110.042 168.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.5 p -117.8 117.78 30.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 129.72 3.208 . . . . 0.0 111.722 4.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -162.33 164.83 27.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.736 2.014 . . . . 0.0 110.48 168.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.77 -25.38 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -163.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m 26.2 75.92 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.526 2.33 . . . . 0.0 115.08 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -77.04 170.03 17.27 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.14 -43.83 31.64 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -73.05 -22.52 60.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -83.02 -44.77 14.84 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.284 1.433 . . . . 0.0 109.66 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.2 -32.08 72.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.456 1.502 . . . . 0.0 113.58 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.73 -26.07 65.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.311 0.644 . . . . 0.0 112.718 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -63.5 -17.19 62.5 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 2' ' ' ILE . 7.1 m-85 -107.73 7.48 28.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.023 1.329 . . . . 0.0 112.611 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.08 139.92 48.68 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.856 1.263 . . . . 0.0 111.299 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 121.549 -0.719 . . . . 0.0 111.489 176.186 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.7 t 74.39 141.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 128.201 2.6 . . . . 0.0 111.653 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.24 109.85 4.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.05 0.94 . . . . 0.0 110.097 173.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -165.37 175.09 9.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.368 1.867 . . . . 0.0 109.7 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.81 128.53 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.261 -0.899 . . . . 0.0 111.433 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 tt -146.51 102.5 3.58 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.116 0.96 . . . . 0.0 110.799 -145.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -121.54 142.85 49.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.34 1.456 . . . . 0.0 112.264 -166.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -115.17 5.35 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 124.531 1.062 . . . . 0.0 114.109 163.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -53.01 -48.01 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.989 0.916 . . . . 0.0 112.097 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -56.94 -38.75 73.35 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.942 -1.099 . . . . 0.0 112.335 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.24 -43.56 81.64 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.889 0.876 . . . . 0.0 111.692 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.42 -46.16 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.431 1.014 . . . . 0.0 111.726 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -61.15 -46.41 90.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.795 1.238 . . . . 0.0 110.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.44 66.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.753 1.221 . . . . 0.0 111.996 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -56.04 -42.1 76.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.24 0.616 . . . . 0.0 111.583 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.4 -42.61 92.42 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.35 -36.14 82.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.73 -53.83 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.157 0.983 . . . . 0.0 111.249 174.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -76.79 -30.04 56.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -171.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.11 -161.4 41.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.047 1.308 . . . . 0.0 112.587 -172.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.4 -11.11 9.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.1 -31.67 71.35 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.15 1.38 . . . . 0.0 112.794 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.58 -171.46 53.22 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.814 1.197 . . . . 0.0 113.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -145.85 155.15 42.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.407 1.083 . . . . 0.0 112.58 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.62 -9.79 59.58 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.73 -39.13 90.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.7 p -19.86 99.04 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.378 2.671 . . . . 0.0 113.864 -167.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.73 147.41 39.88 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 123.653 2.902 . . . . 0.0 111.696 -164.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.51 12.84 28.05 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.551 1.14 . . . . 0.0 113.995 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.146 1.779 . . . . 0.0 112.86 -162.308 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.436 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -47.44 -51.0 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.27 1.428 . . . . 0.0 114.844 -164.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -73.18 -20.77 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.564 0.745 . . . . 0.0 112.954 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.73 -17.37 59.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.037 0.935 . . . . 0.0 111.791 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -106.51 -61.46 1.52 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.558 1.543 . . . . 0.0 109.821 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -66.01 -32.19 73.52 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -77.14 -14.18 59.83 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.846 -1.159 . . . . 0.0 112.367 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 m -104.55 -33.25 8.6 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.705 2.002 . . . . 0.0 111.974 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -144.73 160.56 41.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.808 1.643 . . . . 0.0 111.827 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.8 131.62 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.91 -1.119 . . . . 0.0 110.146 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.21 161.06 35.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.099 0.96 . . . . 0.0 112.555 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -147.55 171.27 15.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.268 1.027 . . . . 0.0 112.654 -163.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.22 -44.18 10.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.486 1.914 . . . . 0.0 115.645 -173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.34 -22.84 61.11 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -86.47 -42.31 13.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.315 1.046 . . . . 0.0 109.971 170.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.6 -32.45 72.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.827 1.251 . . . . 0.0 113.414 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.19 -25.66 64.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.96 0.904 . . . . 0.0 112.921 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.96 -16.67 62.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -109.56 8.35 25.03 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.226 1.41 . . . . 0.0 112.462 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.91 142.66 38.27 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.047 1.339 . . . . 0.0 111.718 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 123.844 0.858 . . . . 0.0 112.251 176.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 CA--C 1.55 0.961 0 CA-C-O 121.49 0.662 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 137.54 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.039 0.936 . . . . 0.0 108.653 162.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -51.7 128.04 22.34 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.26 178.26 2.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.487 2.315 . . . . 0.0 109.192 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.13 68.67 5.16 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.202 1.001 . . . . 0.0 111.923 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -43.52 117.46 1.14 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.434 2.294 . . . . 0.0 112.779 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -135.14 -142.58 0.19 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.978 0.911 . . . . 0.0 110.5 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.38 130.41 9.84 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-N 119.809 1.186 . . . . 0.0 111.181 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -88.34 -7.28 56.94 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.029 2.932 . . . . 0.0 113.926 -3.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -41.94 -40.91 2.32 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.28 2.232 . . . . 0.0 114.974 -170.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.29 -38.26 76.65 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.75 1.22 . . . . 0.0 113.195 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.62 -39.89 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.954 0.797 . . . . 0.0 110.018 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.57 -48.26 75.66 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.86 1.264 . . . . 0.0 110.648 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.49 70.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.81 1.244 . . . . 0.0 112.06 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.01 -39.16 84.83 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.656 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.05 -43.48 98.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.14 0.882 . . . . 0.0 112.474 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -70.13 -34.02 72.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.955 0.798 . . . . 0.0 112.616 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.69 -54.68 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.46 1.104 . . . . 0.0 111.201 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -79.92 -35.45 37.81 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -168.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -169.26 27.86 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.646 1.593 . . . . 0.0 113.833 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.67 -14.41 51.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.52 1.528 . . . . 0.0 114.598 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -66.65 -13.35 61.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.123 1.369 . . . . 0.0 114.239 171.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.11 -167.8 54.47 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.812 1.196 . . . . 0.0 113.922 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -151.77 153.49 34.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.001 1.321 . . . . 0.0 112.285 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -81.91 -10.81 59.17 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.32 -34.29 77.79 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 p -23.68 102.82 0.1 OUTLIER Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 128.049 2.54 . . . . 0.0 113.551 -167.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.73 159.88 34.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.508 2.805 . . . . 0.0 112.369 -161.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -153.76 137.29 15.93 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.043 1.337 . . . . 0.0 111.493 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.115 1.766 . . . . 0.0 112.569 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 CA-C-O 121.242 0.357 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 tt -74.51 -39.45 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.7 t -67.31 -36.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.597 0.759 . . . . 0.0 109.958 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.61 -3.97 7.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.908 1.683 . . . . 0.0 113.563 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -119.27 -60.11 1.77 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.871 1.268 . . . . 0.0 110.537 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 m -74.5 -29.26 61.35 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.06 -22.32 42.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.489 -0.757 . . . . 0.0 112.294 171.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -89.95 -38.13 13.88 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.356 1.863 . . . . 0.0 112.423 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -148.5 -169.73 3.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.25 126.29 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.62 1.168 . . . . 0.0 111.394 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -103.52 144.28 31.61 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.413 1.885 . . . . 0.0 110.914 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -153.26 152.1 30.79 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.9 0.88 . . . . 0.0 112.015 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.94 -43.89 60.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -73.54 -22.34 60.12 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.78 -45.08 13.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.513 1.125 . . . . 0.0 109.784 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -55.75 -35.82 66.61 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.994 1.718 . . . . 0.0 113.198 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.18 -26.64 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -64.39 -16.98 63.31 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -109.19 9.84 25.95 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.32 1.448 . . . . 0.0 111.727 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.19 155.35 36.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.735 0.814 . . . . 0.0 110.911 166.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--O 1.24 0.605 0 O-C-N 121.34 -0.85 . . . . 0.0 112.176 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t 65.3 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.935 2.094 . . . . 0.0 110.574 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.23 110.82 5.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.125 1.77 . . . . 0.0 109.174 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -167.24 169.49 12.5 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.85 1.26 . . . . 0.0 111.323 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -66.08 133.62 51.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 110.635 169.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -151.75 120.49 6.55 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.474 -0.766 . . . . 0.0 110.755 -160.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -155.06 146.31 22.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.21 -0.932 . . . . 0.0 113.049 -166.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -127.09 29.74 Favored Glycine 0 N--CA 1.471 1.017 0 C-N-CA 124.181 0.895 . . . . 0.0 112.294 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.27 -48.29 68.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.096 0.958 . . . . 0.0 112.177 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -55.22 -36.69 66.25 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.959 -1.088 . . . . 0.0 112.969 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.46 -37.51 60.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.03 0.932 . . . . 0.0 112.021 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.12 -45.92 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.821 0.848 . . . . 0.0 111.297 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.98 -44.06 97.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.003 1.321 . . . . 0.0 111.189 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -48.87 70.84 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.008 0.923 . . . . 0.0 112.453 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.28 -41.32 84.11 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.354 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.17 -41.41 96.73 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.783 0.72 . . . . 0.0 112.253 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.88 -42.96 89.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.731 0.812 . . . . 0.0 112.136 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.16 -50.44 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.648 1.179 . . . . 0.0 111.686 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -78.34 -33.72 48.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.948 1.299 . . . . 0.0 114.051 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.52 -171.04 27.43 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.201 1.381 . . . . 0.0 112.648 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -83.09 35.3 0.48 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.518 1.527 . . . . 0.0 113.392 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -64.89 -53.14 51.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.735 1.214 . . . . 0.0 114.22 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.53 168.43 21.73 Favored Glycine 0 N--CA 1.475 1.273 1 C-N-CA 131.249 4.261 . . . . 0.0 112.368 -9.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -59.77 160.78 7.04 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -86.7 -9.37 56.1 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.51 -39.32 93.56 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -20.93 100.13 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.304 0 C-N-CA 128.414 2.685 . . . . 0.0 113.727 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.61 -18.64 13.48 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 123.453 2.769 . . . . 0.0 113.795 -162.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -68.04 113.8 6.03 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.697 0.799 . . . . 0.0 111.896 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.971 1.709 . . . . 0.0 113.211 175.899 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 112.151 -0.379 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -81.32 -49.44 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.613 1.165 . . . . 0.0 114.065 -171.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.1 -20.38 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 118.943 0.792 . . . . 0.0 112.522 -168.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.12 -21.55 66.81 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.806 1.242 . . . . 0.0 112.595 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.1 -57.87 2.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.751 0.705 . . . . 0.0 109.259 159.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.7 m -77.92 47.6 0.65 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.049 1.34 . . . . 0.0 114.568 -170.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -155.8 -34.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 158.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -73.23 -36.87 66.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.423 2.289 . . . . 0.0 112.745 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -151.26 179.63 8.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.08 1.352 . . . . 0.0 112.246 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.81 134.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.788 1.235 . . . . 0.0 112.045 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.3 m -119.97 156.46 30.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.815 1.246 . . . . 0.0 111.187 160.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -146.78 155.49 42.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.78 1.232 . . . . 0.0 110.119 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.39 -43.05 61.81 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -73.55 -23.81 60.03 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.39 -44.34 16.23 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.852 1.261 . . . . 0.0 109.629 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.51 -29.75 70.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.271 1.429 . . . . 0.0 113.175 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 28.6 tt0 -58.71 -26.98 64.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -63.94 -16.25 61.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.48 5.84 29.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 112.818 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 83.9 m -72.09 149.66 44.6 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.448 -0.782 . . . . 0.0 112.166 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.566 0.746 . . . . 0.0 111.782 176.5 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.24 151.24 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.179 1.392 . . . . 0.0 109.508 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -46.74 121.99 3.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.439 1.496 . . . . 0.0 111.833 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.43 172.66 16.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.981 1.312 . . . . 0.0 110.737 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.62 -34.49 69.87 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt 58.14 -167.6 0.14 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.076 1.75 . . . . 0.0 111.033 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t 179.31 -168.16 0.09 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 129.384 3.074 . . . . 0.0 109.052 165.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.84 134.95 13.9 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.827 -1.171 . . . . 0.0 110.663 165.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m -87.52 -9.65 53.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.84 2.856 . . . . 0.0 114.342 -0.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -42.32 -38.54 1.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.382 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.82 -32.87 71.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.389 1.876 . . . . 0.0 113.332 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.95 -40.42 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.195 0.998 . . . . 0.0 110.585 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.96 -43.91 74.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.148 . . . . 0.0 110.671 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.46 64.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.402 1.081 . . . . 0.0 111.087 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 32.3 mt -55.02 -48.09 73.84 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.802 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -57.72 -41.51 81.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.144 1.338 . . . . 0.0 113.046 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.82 -31.01 68.67 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.353 -0.842 . . . . 0.0 112.607 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.85 -55.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.665 1.186 . . . . 0.0 111.203 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -76.17 -23.94 54.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.625 1.97 . . . . 0.0 114.782 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -163.83 54.66 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.532 1.063 . . . . 0.0 112.618 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -7.96 15.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -63.04 -31.93 73.18 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.098 0.959 . . . . 0.0 111.953 167.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.34 -166.29 53.53 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.214 1.387 . . . . 0.0 114.295 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 19.5 p80 -149.95 159.66 44.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.41 1.884 . . . . 0.0 111.911 -174.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -89.2 -8.35 53.75 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.54 -38.97 93.14 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -15.83 95.48 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.289 0 C-N-CA 129.0 2.92 . . . . 0.0 113.742 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.73 156.51 44.23 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.746 2.964 . . . . 0.0 112.32 -163.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -70.96 123.22 21.53 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.566 0.746 . . . . 0.0 111.414 174.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.897 1.679 . . . . 0.0 113.174 177.226 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 CA-C-O 120.984 0.213 . . . . 0.0 112.836 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -65.24 -22.99 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 126.181 1.792 . . . . 0.0 114.42 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.4 -0.59 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.635 -1.291 . . . . 0.0 113.196 171.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -118.94 -67.07 1.01 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.062 1.745 . . . . 0.0 109.708 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.0 125.22 24.23 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.405 -0.81 . . . . 0.0 109.556 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.3 m 75.58 -15.48 0.68 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.998 2.119 . . . . 0.0 114.062 -172.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -63.62 1.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.796 1.238 . . . . 0.0 110.862 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -99.42 15.86 25.02 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.352 1.861 . . . . 0.0 112.66 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -148.54 168.24 23.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.802 1.641 . . . . 0.0 110.234 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -85.78 134.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.363 1.065 . . . . 0.0 111.608 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.2 m -137.93 156.16 48.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.821 1.248 . . . . 0.0 113.118 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 m -115.45 178.67 4.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.236 1.814 . . . . 0.0 111.96 169.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -50.42 -42.72 54.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.53 1.532 . . . . 0.0 115.049 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -72.61 -22.89 60.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.79 -45.15 15.99 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.755 1.222 . . . . 0.0 109.499 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.5 -32.26 72.28 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 113.136 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.39 -25.65 64.46 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -63.15 -16.39 59.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -106.75 6.68 29.85 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.848 1.259 . . . . 0.0 112.318 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -75.71 167.16 22.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.614 0.766 . . . . 0.0 112.44 172.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.301 1.041 . . . . 0.0 112.66 179.664 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.89 157.6 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.693 1.597 . . . . 0.0 111.313 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -57.11 130.17 44.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.999 1.32 . . . . 0.0 113.368 -174.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -177.0 179.48 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.087 2.555 . . . . 0.0 109.018 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -76.03 61.56 1.54 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.55 1.14 . . . . 0.0 111.302 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.22 103.26 3.88 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.412 2.285 . . . . 0.0 109.554 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -136.27 -107.7 0.2 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -158.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.31 111.78 4.32 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.179 1.371 . . . . 0.0 112.716 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -111.59 95.42 5.49 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.006 2.922 . . . . 0.0 109.737 -11.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -138.2 -37.76 0.56 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.778 2.031 . . . . 0.0 111.628 -171.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.5 -38.12 88.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.537 1.135 . . . . 0.0 110.887 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.04 -40.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.002 1.321 . . . . 0.0 111.59 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.55 -40.62 69.9 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.408 1.083 . . . . 0.0 111.163 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.24 76.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.499 1.12 . . . . 0.0 111.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.7 mt -55.19 -50.29 69.72 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.694 0.798 . . . . 0.0 110.617 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -55.37 -39.51 70.18 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.432 1.014 . . . . 0.0 113.159 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.47 -40.28 77.2 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.689 0.795 . . . . 0.0 112.81 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.29 -56.61 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.123 1.369 . . . . 0.0 111.389 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.69 -32.0 72.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.622 1.969 . . . . 0.0 112.844 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.89 -47.3 3.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.671 1.605 . . . . 0.0 114.701 167.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -136.62 157.4 46.86 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.124 1.769 . . . . 0.0 110.272 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 65.92 165.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.718 2.407 . . . . 0.0 113.412 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.82 112.01 3.88 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 27.4 p80 -61.13 158.88 12.9 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.979 0.911 . . . . 0.0 112.434 171.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -72.54 -17.12 61.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.06 80.93 9.01 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.947 0.88 . . . . 0.0 112.086 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -113.68 87.03 11.4 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 124.968 1.307 . . . . 0.0 109.014 171.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -73.95 161.49 41.16 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.92 3.08 . . . . 0.0 112.159 -173.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -73.71 136.81 43.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 111.917 167.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.853 1.661 . . . . 0.0 112.358 174.696 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 CA-C-O 121.117 0.287 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -70.19 -43.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.382 1.073 . . . . 0.0 113.458 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.85 -19.86 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.141 1.376 . . . . 0.0 112.777 -175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -82.95 -6.61 59.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.31 1.444 . . . . 0.0 113.192 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.85 -41.46 0.4 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -174.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -78.65 -15.36 58.59 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.749 -1.219 . . . . 0.0 113.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.2 m -80.98 -23.16 38.93 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.133 0.973 . . . . 0.0 113.545 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.4 p -111.34 -20.24 12.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.265 1.426 . . . . 0.0 113.677 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -139.92 -179.83 6.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.989 1.316 . . . . 0.0 112.451 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -62.14 133.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.68 1.192 . . . . 0.0 110.173 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 m -125.93 159.14 33.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.245 1.021 . . . . 0.0 111.751 162.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 m -167.65 168.84 12.34 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.941 2.096 . . . . 0.0 108.872 -165.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.28 -49.46 3.68 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.156 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -69.47 -22.35 63.63 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -86.36 -44.9 11.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.791 1.236 . . . . 0.0 109.763 170.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.55 -30.5 69.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.427 1.491 . . . . 0.0 113.642 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.98 -27.18 66.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.49 1.116 . . . . 0.0 112.763 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -62.91 -18.34 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -107.44 4.7 26.53 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.055 1.342 . . . . 0.0 112.476 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.24 138.93 47.83 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.472 0.67 0 O-C-N 121.496 -0.753 . . . . 0.0 111.72 178.184 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t 79.75 148.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.503 2.721 . . . . 0.0 112.2 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.41 91.62 0.41 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.418 1.487 . . . . 0.0 109.952 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -155.53 178.18 10.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.228 1.011 . . . . 0.0 112.004 -172.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -71.16 125.52 27.15 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.796 0.838 . . . . 0.0 110.316 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -97.39 -164.31 1.13 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.937 1.295 . . . . 0.0 109.336 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 156.47 158.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 131.672 3.989 . . . . 0.0 111.002 163.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.54 -121.71 26.91 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.036 0.826 . . . . 0.0 113.13 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -71.33 -32.97 69.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.457 1.103 . . . . 0.0 113.224 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -55.43 -35.27 65.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.743 1.217 . . . . 0.0 112.027 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.51 -41.84 90.86 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.561 1.144 . . . . 0.0 111.998 173.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.49 -43.48 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.403 0.681 . . . . 0.0 110.246 -171.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -37.61 75.66 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.305 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -53.0 62.31 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.307 0.958 . . . . 0.0 111.191 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 38.5 mt -55.12 -43.85 74.49 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 111.976 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -64.16 -43.4 95.28 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.599 0.636 . . . . 0.0 112.67 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.87 -37.04 85.93 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.466 1.03 . . . . 0.0 112.317 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.27 -53.98 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 0.0 111.531 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 t -77.6 -29.48 51.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -171.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.54 -157.3 43.96 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.686 1.612 . . . . 0.0 112.66 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.88 -8.68 16.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.101 1.36 . . . . 0.0 114.364 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -30.28 69.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.953 1.301 . . . . 0.0 112.479 171.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.37 -176.25 45.04 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.729 1.157 . . . . 0.0 113.301 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 25.9 p80 -147.64 157.1 43.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.283 1.033 . . . . 0.0 112.376 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -82.02 -16.69 49.38 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -80.54 91.92 5.85 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.362 -0.836 . . . . 0.0 111.026 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -118.71 89.5 37.79 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.47 1.108 . . . . 0.0 109.297 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.37 176.75 9.33 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.723 3.615 . . . . 0.0 112.01 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -81.56 43.39 0.74 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.223 1.409 . . . . 0.0 112.766 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.368 1.867 . . . . 0.0 112.312 -177.432 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 CA-C-O 121.134 0.297 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -85.16 -50.89 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.194 0.998 . . . . 0.0 113.672 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.74 -29.96 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.916 0.78 . . . . 0.0 112.596 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.15 -16.4 63.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.15 -55.3 2.81 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.585 1.154 . . . . 0.0 109.774 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.29 -30.36 70.2 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.55 -9.74 58.84 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.813 -1.18 . . . . 0.0 112.947 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 m -113.69 -33.6 5.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.725 2.01 . . . . 0.0 112.335 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -143.52 173.08 11.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.185 1.794 . . . . 0.0 112.021 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.46 123.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.946 -1.096 . . . . 0.0 111.663 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 m -108.16 149.33 28.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.311 1.044 . . . . 0.0 111.542 163.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -153.75 159.72 42.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.478 1.511 . . . . 0.0 110.102 -161.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.28 -44.31 33.56 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -73.24 -23.11 60.3 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -82.94 -47.18 12.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.688 1.195 . . . . 0.0 109.404 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.5 -32.31 71.32 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.922 1.689 . . . . 0.0 113.353 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.69 -27.0 66.03 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.529 0.732 . . . . 0.0 112.936 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -64.27 -17.93 64.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.26 8.32 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.081 1.352 . . . . 0.0 112.455 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.85 136.78 47.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.767 1.227 . . . . 0.0 111.424 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.499 -0.751 . . . . 0.0 111.864 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.53 155.57 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.857 1.663 . . . . 0.0 110.827 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -53.55 119.72 5.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.781 1.632 . . . . 0.0 112.092 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.54 -178.37 4.39 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.216 1.407 . . . . 0.0 111.288 -172.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -79.01 57.0 2.08 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.452 1.501 . . . . 0.0 112.237 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -55.76 132.9 50.45 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.242 1.817 . . . . 0.0 112.252 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.6 t -155.51 133.66 11.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.36 -0.837 . . . . 0.0 112.134 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.69 -124.42 26.58 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 123.666 0.65 . . . . 0.0 112.206 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -56.0 -40.64 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.791 1.236 . . . . 0.0 112.991 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -56.45 -42.91 78.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.452 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -43.87 77.52 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.72 . . . . 0.0 110.58 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.82 -49.29 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.778 0.831 . . . . 0.0 112.077 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.68 -35.04 76.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.556 0.616 . . . . 0.0 111.882 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.68 -50.53 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.653 0.781 . . . . 0.0 111.782 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -55.16 -42.66 73.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.09 0.556 . . . . 0.0 111.492 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -65.4 -42.27 92.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.73 -35.46 80.16 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.797 1.181 . . . . 0.0 112.42 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.19 -54.85 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.921 0.888 . . . . 0.0 111.216 173.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.05 -27.1 48.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -157.93 43.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.267 1.413 . . . . 0.0 112.756 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.14 -10.74 6.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -56.9 -33.62 67.08 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.493 1.517 . . . . 0.0 113.112 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 -170.33 50.23 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.482 1.039 . . . . 0.0 113.085 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -149.99 154.55 38.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.279 1.032 . . . . 0.0 112.732 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -82.23 -9.97 59.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 114.049 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.29 -37.79 88.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -20.27 100.47 0.06 OUTLIER Pre-proline 0 N--CA 1.486 1.358 0 C-N-CA 128.345 2.658 . . . . 0.0 113.824 -167.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.76 161.6 36.31 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.714 2.942 . . . . 0.0 112.526 -163.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -153.74 142.4 20.89 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 111.817 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 125.385 1.474 . . . . 0.0 111.021 166.49 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt -55.28 -59.85 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -167.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.2 -30.47 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.52 1.054 . . . . 0.0 111.958 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.68 -34.59 73.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.501 1.121 . . . . 0.0 111.564 171.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -85.13 -57.0 3.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.573 1.149 . . . . 0.0 111.142 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -68.55 -27.57 66.2 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -77.44 -10.0 59.21 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.025 -1.047 . . . . 0.0 112.546 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -114.3 -32.28 6.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.655 1.982 . . . . 0.0 112.422 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -142.95 176.31 9.17 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.864 1.665 . . . . 0.0 112.373 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.05 133.21 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 120.94 -1.1 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -118.82 106.72 12.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.086 0.954 . . . . 0.0 110.733 164.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -94.87 173.23 7.7 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.492 1.517 . . . . 0.0 112.443 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.85 -43.48 59.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -73.09 -22.19 60.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -81.46 -48.49 11.8 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.801 1.241 . . . . 0.0 109.008 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.79 -33.21 73.7 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.484 1.514 . . . . 0.0 113.549 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.23 -26.39 66.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.375 0.67 . . . . 0.0 112.699 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -62.76 -17.65 61.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CG ' HD12 ' A' ' 2' ' ' ILE . 6.6 m-85 -107.87 5.97 26.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.668 1.187 . . . . 0.0 112.521 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -74.74 135.95 41.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.737 1.215 . . . . 0.0 110.905 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 N--CA 1.472 0.634 0 O-C-N 121.464 -0.773 . . . . 0.0 111.595 -179.344 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 p90 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.0 t 80.93 -33.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 128.343 2.657 . . . . 0.0 115.003 158.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m120 105.79 104.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 130.476 3.51 . . . . 0.0 107.223 -170.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -162.34 171.08 17.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.298 1.039 . . . . 0.0 109.462 -157.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -66.0 135.78 55.14 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.812 -0.555 . . . . 0.0 109.848 159.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -139.04 131.39 28.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 110.161 -173.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.8 125.42 7.62 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.833 -0.542 . . . . 0.0 110.952 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.04 -121.04 17.77 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 123.814 0.721 . . . . 0.0 111.939 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -53.02 -50.72 63.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.376 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -50.15 -42.25 50.51 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.852 -1.155 . . . . 0.0 113.314 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.06 -43.58 70.89 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.099 0.96 . . . . 0.0 110.795 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.17 -46.27 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.876 0.87 . . . . 0.0 112.029 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.36 -46.6 89.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.906 1.283 . . . . 0.0 110.8 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.48 78.54 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.674 0.79 . . . . 0.0 112.184 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -56.68 -44.31 81.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.924 0.489 . . . . 0.0 111.603 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.34 -45.01 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.432 0.56 . . . . 0.0 112.394 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.46 -36.22 83.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.414 -0.804 . . . . 0.0 112.517 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.34 -52.87 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.346 1.058 . . . . 0.0 111.351 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.15 -17.95 61.92 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -129.88 9.5 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.467 1.508 . . . . 0.0 112.308 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.67 -2.02 24.37 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.254 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -101.85 152.6 20.71 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.245 1.818 . . . . 0.0 111.495 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.71 -177.9 49.32 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 124.924 1.25 . . . . 0.0 113.654 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -137.89 150.53 47.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.274 1.43 . . . . 0.0 111.824 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -82.82 -8.95 59.54 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -65.08 -35.59 81.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.7 p -20.17 100.45 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 128.333 2.653 . . . . 0.0 113.965 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 158.06 38.9 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 123.731 2.954 . . . . 0.0 112.089 -163.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -83.33 31.58 0.45 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.977 1.311 . . . . 0.0 113.37 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.899 2.08 . . . . 0.0 112.447 -179.411 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.551 -0.219 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.93 -46.12 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.096 0.958 . . . . 0.0 113.561 -173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.57 -31.61 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.64 0.776 . . . . 0.0 110.952 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.11 -3.42 7.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.018 1.727 . . . . 0.0 113.564 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -125.01 -51.3 1.68 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.373 1.469 . . . . 0.0 110.988 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -70.88 -33.93 71.09 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.83 -19.73 22.23 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.174 0.897 . . . . 0.0 112.78 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.9 p -90.95 -27.88 18.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.906 1.682 . . . . 0.0 112.918 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -148.59 -169.01 3.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.404 1.482 . . . . 0.0 111.723 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.49 139.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 120.522 -1.361 . . . . 0.0 110.54 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 p -139.45 161.95 36.22 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 112.173 162.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -148.92 163.57 37.08 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.45 1.1 . . . . 0.0 111.976 -162.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.52 -44.36 17.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -172.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -71.91 -23.66 61.51 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.68 -41.07 14.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.257 1.023 . . . . 0.0 110.273 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -60.58 -32.06 71.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.691 1.197 . . . . 0.0 113.078 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 27.1 tt0 -59.27 -26.46 64.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -64.35 -16.85 63.02 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -104.31 4.35 33.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.543 1.137 . . . . 0.0 112.668 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.0 m -71.22 148.17 47.52 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.398 -0.814 . . . . 0.0 112.183 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 123.357 0.663 . . . . 0.0 111.55 176.272 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.42 144.44 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.418 1.487 . . . . 0.0 110.088 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -54.56 125.03 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 112.658 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -168.76 -176.24 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.478 1.911 . . . . 0.0 109.763 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -77.73 121.12 23.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.582 0.753 . . . . 0.0 110.76 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.51 117.82 32.02 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.545 1.938 . . . . 0.0 110.672 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 140.06 51.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.874 1.27 . . . . 0.0 110.172 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -119.19 13.46 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.054 0.835 . . . . 0.0 113.523 170.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -53.04 -50.52 64.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.379 1.072 . . . . 0.0 112.249 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.91 -42.22 65.16 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.76 -1.213 . . . . 0.0 112.219 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.51 -41.44 76.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.89 0.876 . . . . 0.0 111.718 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.9 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.897 0.879 . . . . 0.0 112.029 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.72 -45.98 84.23 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.0 1.32 . . . . 0.0 111.016 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.82 79.29 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.87 0.868 . . . . 0.0 111.456 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.88 -49.82 70.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.745 174.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -56.58 -40.99 76.18 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.92 1.236 . . . . 0.0 113.095 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.7 -32.29 70.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.271 -0.893 . . . . 0.0 112.838 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.26 -55.37 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.757 1.223 . . . . 0.0 111.175 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -74.3 -29.57 61.69 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.382 1.873 . . . . 0.0 114.174 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.95 -160.74 48.71 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.796 1.189 . . . . 0.0 112.501 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.2 -12.16 11.84 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -62.16 -34.73 76.96 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.875 1.27 . . . . 0.0 112.17 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.07 -163.65 54.23 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.901 1.239 . . . . 0.0 113.558 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -153.63 160.69 42.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.319 1.848 . . . . 0.0 111.685 -173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -87.33 -11.47 49.36 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -79.2 84.52 5.15 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.18 0.9 . . . . 0.0 111.059 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -114.73 85.27 11.25 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.096 1.358 . . . . 0.0 108.886 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -70.34 140.69 41.05 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.73 2.953 . . . . 0.0 111.327 -172.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.05 24.44 0.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.822 2.849 . . . . 0.0 113.403 -1.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.364 1.865 . . . . 0.0 113.362 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 tp -68.46 -65.81 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 126.144 1.777 . . . . 0.0 112.658 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.91 -18.02 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.184 0.994 . . . . 0.0 112.669 -171.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.24 -21.7 62.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.989 1.316 . . . . 0.0 112.717 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.52 -26.61 2.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -98.25 17.4 18.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.928 1.24 . . . . 0.0 113.864 173.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -155.38 116.27 3.9 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.13 0.877 . . . . 0.0 112.773 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 p -75.39 127.0 32.15 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.811 2.844 . . . . 0.0 109.931 -15.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -168.55 168.7 10.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.384 1.474 . . . . 0.0 109.739 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -76.56 -42.99 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.52 -61.28 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.443 2.697 . . . . 0.0 114.404 -163.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m 78.96 166.95 0.2 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.109 2.563 . . . . 0.0 113.19 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.84 -45.1 29.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 115.235 -171.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -71.27 -22.91 61.9 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -85.16 -48.29 9.3 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.888 0.875 . . . . 0.0 109.607 170.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.76 -30.73 71.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.767 1.227 . . . . 0.0 113.103 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.95 -27.98 69.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.983 0.913 . . . . 0.0 112.823 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.86 -19.28 63.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.97 3.01 35.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.734 1.214 . . . . 0.0 112.385 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.43 134.39 48.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.016 1.326 . . . . 0.0 111.113 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.472 0.641 0 O-C-N 121.442 -0.786 . . . . 0.0 111.698 -178.29 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.0 p90 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.37 141.39 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.571 1.148 . . . . 0.0 110.009 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.36 40.31 0.1 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.999 1.72 . . . . 0.0 113.688 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -88.48 170.58 10.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.25 1.82 . . . . 0.0 110.881 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -65.81 130.77 44.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.839 -0.538 . . . . 0.0 110.351 161.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 163.01 20.78 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.179 1.392 . . . . 0.0 112.425 -174.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -168.36 159.46 10.58 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.978 2.511 . . . . 0.0 109.534 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.93 -124.0 19.06 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.39 0.995 . . . . 0.0 113.779 167.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -53.17 -48.55 67.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.269 1.028 . . . . 0.0 112.58 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -58.92 -39.25 80.99 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.595 -1.316 . . . . 0.0 112.706 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -66.54 -43.17 85.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.233 0.613 . . . . 0.0 110.861 175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.0 t -60.29 -44.11 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.132 0.973 . . . . 0.0 111.616 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.86 -47.34 85.44 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.744 1.217 . . . . 0.0 110.927 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.9 74.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.5 mt -55.49 -46.09 76.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.028 0.931 . . . . 0.0 111.73 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -62.48 -43.17 99.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.225 0.61 . . . . 0.0 112.399 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.32 -33.5 74.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.728 0.811 . . . . 0.0 112.83 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.28 -53.43 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.879 0.871 . . . . 0.0 111.18 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.58 -39.11 81.11 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -172.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 -134.3 13.36 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.809 1.195 . . . . 0.0 111.399 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.48 156.18 27.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.031 0.933 . . . . 0.0 112.279 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 78.11 -17.04 0.6 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.581 2.752 . . . . 0.0 113.75 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.23 -160.72 53.42 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.025 1.298 . . . . 0.0 114.035 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -133.71 161.78 33.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.511 1.524 . . . . 0.0 112.218 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -83.53 -12.5 56.12 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -80.38 85.97 5.79 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.262 -0.899 . . . . 0.0 111.409 173.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.8 p -115.25 85.87 13.47 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 124.328 1.051 . . . . 0.0 109.092 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.83 157.96 54.01 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 124.065 3.177 . . . . 0.0 111.765 -173.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -77.52 133.77 38.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.163 2.185 . . . . 0.0 112.089 -3.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.96 1.704 . . . . 0.0 112.588 -176.872 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.451 HG23 ' H ' ' A' ' 3' ' ' VAL 0.336 6.6 tp 45.22 -94.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.509 2.324 . . . . 0.0 113.578 177.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.451 ' H ' HG23 ' A' ' 2' ' ' ILE . 25.9 t -61.72 -30.81 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.874 1.27 . . . . 0.0 111.439 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.63 -17.14 62.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.68 1.192 . . . . 0.0 112.692 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -103.44 -57.18 2.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.659 1.184 . . . . 0.0 110.032 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.43 -24.57 67.22 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -81.56 -17.4 48.5 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -116.82 -20.49 9.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.567 1.547 . . . . 0.0 113.459 -176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 t -143.73 163.68 32.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.24 1.816 . . . . 0.0 110.74 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -82.03 127.18 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 O-C-N 120.754 -1.216 . . . . 0.0 112.707 -165.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.66 146.49 26.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.125 1.37 . . . . 0.0 111.233 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -148.8 163.12 38.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.226 1.81 . . . . 0.0 109.238 -168.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.82 -48.29 4.31 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -173.323 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -71.12 -24.43 62.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.27 -45.63 13.59 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.628 1.171 . . . . 0.0 109.594 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.85 -33.22 72.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.102 1.761 . . . . 0.0 112.93 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -58.53 -26.5 63.58 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.742 0.817 . . . . 0.0 113.046 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -65.4 -17.73 64.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.945 -1.097 . . . . 0.0 113.863 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -107.51 5.86 27.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.946 1.298 . . . . 0.0 112.546 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.35 141.14 48.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.524 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 123.266 0.626 . . . . 0.0 111.59 173.46 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.36 156.68 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.818 1.647 . . . . 0.0 110.884 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.2 120.52 8.24 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.544 1.537 . . . . 0.0 111.839 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.68 176.31 7.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.796 1.639 . . . . 0.0 110.348 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -77.08 65.07 2.64 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.757 0.823 . . . . 0.0 111.38 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -51.07 122.86 8.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.421 1.888 . . . . 0.0 112.745 -172.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -169.16 162.87 10.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.635 0.774 . . . . 0.0 112.346 -169.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.37 -48.37 2.15 Favored Glycine 0 N--CA 1.477 1.371 0 C-N-CA 126.351 1.929 . . . . 0.0 114.261 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -159.06 -38.93 0.06 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.393 1.877 . . . . 0.0 110.982 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -31.02 32.19 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -36.99 79.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.555 1.142 . . . . 0.0 112.008 174.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.67 -44.21 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 0.0 110.553 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.74 -46.55 89.15 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.229 1.012 . . . . 0.0 110.653 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.53 70.0 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.462 1.105 . . . . 0.0 112.178 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.63 -40.66 84.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.163 0.438 . . . . 0.0 111.942 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.22 -43.57 97.73 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.54 0.609 . . . . 0.0 112.343 173.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.24 -32.97 71.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.556 -0.715 . . . . 0.0 112.836 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.83 -54.83 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.102 0.961 . . . . 0.0 111.115 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.6 -29.31 56.48 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 -164.6 33.22 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.353 1.454 . . . . 0.0 113.28 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.94 -16.89 47.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -77.36 -8.79 58.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.59 -163.78 54.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.776 1.179 . . . . 0.0 114.219 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -149.21 159.5 44.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.113 1.365 . . . . 0.0 112.271 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -82.8 -11.4 58.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.17 -37.03 84.65 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -20.73 99.64 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.399 0 C-N-CA 128.348 2.659 . . . . 0.0 113.783 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.57 157.04 40.54 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.732 2.955 . . . . 0.0 112.312 -164.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -74.11 128.56 35.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.607 0.763 . . . . 0.0 111.289 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.232 1.813 . . . . 0.0 112.638 179.632 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.72 -32.9 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -58.38 -27.03 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.033 1.333 . . . . 0.0 112.974 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.08 -13.92 60.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.056 0.942 . . . . 0.0 112.531 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.18 -65.15 0.98 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.5 1.12 . . . . 0.0 110.255 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -81.48 -7.11 59.54 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -162.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.81 91.63 5.45 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.185 0.994 . . . . 0.0 110.933 166.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -110.92 117.68 34.03 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 130.425 3.49 . . . . 0.0 109.663 -8.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -167.33 160.12 13.18 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.446 1.899 . . . . 0.0 109.831 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -65.97 120.69 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.067 -1.02 . . . . 0.0 111.555 -173.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.49 138.0 38.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.763 1.225 . . . . 0.0 109.175 160.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -140.25 151.37 45.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.296 1.038 . . . . 0.0 111.723 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -45.11 37.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.14 -23.48 61.3 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.2 -45.13 12.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.394 1.078 . . . . 0.0 110.027 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.03 -29.72 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.124 1.77 . . . . 0.0 113.204 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.06 -26.67 68.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -65.86 -17.73 64.85 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.985 -1.072 . . . . 0.0 113.738 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.02 3.74 33.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.029 1.331 . . . . 0.0 112.046 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.48 136.62 54.9 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.998 1.319 . . . . 0.0 110.964 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.5 -0.75 . . . . 0.0 111.716 178.883 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m 59.5 154.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 130.273 3.429 . . . . 0.0 116.087 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -68.67 110.84 4.46 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.513 1.125 . . . . 0.0 110.038 175.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -161.79 -177.48 5.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.824 1.25 . . . . 0.0 111.39 -174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -76.08 51.48 0.67 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.028 1.731 . . . . 0.0 113.384 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.24 128.1 34.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.125 1.77 . . . . 0.0 110.897 -173.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -144.22 133.46 23.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.052 0.941 . . . . 0.0 111.277 -169.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.8 -119.78 17.63 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.773 0.701 . . . . 0.0 112.432 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p -54.93 -49.37 71.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.552 1.141 . . . . 0.0 112.333 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -52.88 -38.27 61.46 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.045 -1.034 . . . . 0.0 112.866 174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 -46.55 67.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.458 1.103 . . . . 0.0 110.731 178.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.75 -43.23 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.369 1.068 . . . . 0.0 111.933 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -62.84 -46.64 86.99 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.828 1.251 . . . . 0.0 111.098 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -50.48 73.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.078 0.951 . . . . 0.0 111.78 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.419 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.3 mt -54.71 -44.38 73.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.548 0.739 . . . . 0.0 111.782 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.55 -41.74 92.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.44 -37.11 85.93 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.596 1.089 . . . . 0.0 112.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.21 -54.86 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.05 0.94 . . . . 0.0 111.137 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 t -74.47 -30.49 61.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.41 -155.27 41.53 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.677 1.608 . . . . 0.0 112.667 -173.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.33 -18.98 31.45 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.714 1.606 . . . . 0.0 114.254 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.54 70.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.055 1.342 . . . . 0.0 112.799 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.8 -174.9 42.17 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.586 1.088 . . . . 0.0 113.444 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.8 p80 -143.56 159.19 42.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.421 1.088 . . . . 0.0 112.329 -176.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -80.89 -17.91 49.03 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.37 88.79 3.76 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.218 0.917 . . . . 0.0 111.337 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -118.93 87.78 34.53 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.766 1.226 . . . . 0.0 109.285 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -73.53 161.87 41.26 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.838 3.025 . . . . 0.0 112.11 -174.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -154.28 138.02 16.14 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.949 1.299 . . . . 0.0 111.628 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.595 1.958 . . . . 0.0 114.091 175.576 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt -50.52 -48.73 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.972 1.309 . . . . 0.0 114.524 -165.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.53 -25.86 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.451 0.7 . . . . 0.0 112.757 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -82.96 -2.56 55.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.48 1.112 . . . . 0.0 112.671 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.21 -46.86 2.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.232 1.413 . . . . 0.0 111.313 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.3 m -92.29 -27.39 17.63 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.68 -19.89 54.57 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.025 -1.047 . . . . 0.0 112.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.6 p -102.9 -31.73 10.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.114 2.165 . . . . 0.0 113.212 -174.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -140.35 179.05 6.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.325 1.45 . . . . 0.0 112.198 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.45 126.38 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.845 -1.16 . . . . 0.0 111.106 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.78 138.78 35.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.049 1.74 . . . . 0.0 110.947 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -152.65 164.53 37.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.709 1.204 . . . . 0.0 111.275 -172.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.2 -43.96 42.75 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -73.88 -20.83 60.29 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -84.83 -46.88 10.92 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.612 1.165 . . . . 0.0 109.149 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.45 -36.11 75.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.586 1.554 . . . . 0.0 113.709 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.72 -27.24 66.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.452 0.701 . . . . 0.0 112.848 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -61.49 -19.11 61.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -106.71 6.9 30.13 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.938 1.295 . . . . 0.0 112.453 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -70.97 143.9 50.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.94 0.896 . . . . 0.0 111.646 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.171 0.988 . . . . 0.0 112.112 179.421 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.1 p90 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.98 146.8 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.22 1.808 . . . . 0.0 108.973 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.5 127.49 13.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.93 1.292 . . . . 0.0 113.435 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -172.21 174.76 3.88 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.611 1.964 . . . . 0.0 109.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -77.86 58.22 1.85 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.768 1.227 . . . . 0.0 112.559 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.26 132.59 39.14 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.15 152.19 22.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.337 0.655 . . . . 0.0 112.075 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 -130.04 29.64 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.808 0.718 . . . . 0.0 111.68 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -64.53 -32.41 74.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.457 0.703 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -33.65 65.72 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.508 -1.37 . . . . 0.0 112.929 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.17 -34.88 79.04 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.999 0.92 . . . . 0.0 112.985 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.5 -44.24 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 119.401 1.001 . . . . 0.0 109.95 -175.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.69 -35.31 74.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.29 0.636 . . . . 0.0 112.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.81 73.21 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.377 -0.827 . . . . 0.0 111.716 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.27 -42.42 86.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.797 0.839 . . . . 0.0 111.736 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.24 -41.63 93.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.521 0.6 . . . . 0.0 112.423 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.32 -41.85 80.2 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.779 0.718 . . . . 0.0 112.733 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.8 -52.54 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.905 0.882 . . . . 0.0 111.433 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.12 -26.5 61.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.457 1.103 . . . . 0.0 113.383 -174.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.73 -43.45 2.79 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.148 1.833 . . . . 0.0 115.179 167.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -138.22 147.25 43.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.046 1.338 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 65.07 176.93 0.2 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.061 2.144 . . . . 0.0 112.975 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.49 117.13 4.56 Favored Glycine 0 N--CA 1.468 0.829 0 C-N-CA 124.291 0.948 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.89 160.86 22.41 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.456 1.103 . . . . 0.0 112.446 164.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -84.15 -18.27 37.3 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -80.11 104.86 10.96 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.467 1.03 . . . . 0.0 110.892 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -135.84 100.75 10.84 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 124.243 1.017 . . . . 0.0 108.373 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -76.66 153.98 34.5 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.797 2.998 . . . . 0.0 111.646 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -155.02 26.41 0.42 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.621 1.168 . . . . 0.0 113.929 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.966 2.106 . . . . 0.0 112.502 -177.745 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.445 -0.641 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.407 HG23 ' H ' ' A' ' 3' ' ' VAL 0.313 12.0 tt 33.1 -73.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 130.163 3.385 . . . . 0.0 117.474 178.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' ILE . 24.4 t -58.32 -35.38 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.062 1.345 . . . . 0.0 110.836 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -64.79 -15.0 61.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.345 1.058 . . . . 0.0 113.3 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -98.62 -62.29 1.26 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.208 1.003 . . . . 0.0 109.85 168.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -68.82 -24.84 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -166.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -111.77 87.02 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.211 1.404 . . . . 0.0 111.113 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -116.65 118.23 32.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 129.274 3.03 . . . . 0.0 111.25 -0.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -163.61 159.3 21.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.34 165.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.3 119.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.276 -0.89 . . . . 0.0 110.853 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 m -114.87 150.42 35.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.768 1.227 . . . . 0.0 111.567 170.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 m -151.95 159.43 43.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.832 1.253 . . . . 0.0 110.877 -163.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.33 -45.3 45.29 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -71.01 -21.72 62.25 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.91 -43.45 11.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.47 1.108 . . . . 0.0 110.502 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.57 -30.09 71.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.015 1.326 . . . . 0.0 113.507 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.37 -27.03 67.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.777 0.831 . . . . 0.0 112.694 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -62.32 -17.2 58.17 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -104.62 3.0 31.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.619 1.167 . . . . 0.0 112.832 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.06 140.33 54.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.804 1.242 . . . . 0.0 111.132 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.414 -0.804 . . . . 0.0 112.041 175.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 p90 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.45 159.83 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.293 1.037 . . . . 0.0 111.878 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.04 118.89 5.9 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.702 1.201 . . . . 0.0 110.46 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.77 170.51 19.45 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.39 0.676 . . . . 0.0 112.706 -168.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -73.92 135.0 43.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.478 1.111 . . . . 0.0 110.601 169.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.23 130.25 38.79 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.82 0.848 . . . . 0.0 111.687 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -132.91 136.9 46.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.255 1.422 . . . . 0.0 110.315 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.16 -120.99 20.44 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.237 0.923 . . . . 0.0 113.554 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -46.63 64.23 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.018 1.327 . . . . 0.0 112.71 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -38.76 75.05 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.686 -1.259 . . . . 0.0 112.498 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -42.72 70.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.686 1.194 . . . . 0.0 110.574 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.64 -45.0 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.428 1.091 . . . . 0.0 111.904 172.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.46 -44.56 94.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 111.143 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.0 -48.9 79.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.722 0.809 . . . . 0.0 111.416 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.67 -45.26 81.8 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.206 0.603 . . . . 0.0 112.036 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.79 -38.01 80.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.129 0.972 . . . . 0.0 113.008 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.16 -40.26 52.98 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.645 0.778 . . . . 0.0 112.294 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.52 -51.68 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.553 1.141 . . . . 0.0 111.178 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.73 -27.53 68.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.756 0.822 . . . . 0.0 112.518 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.12 1.18 Allowed Glycine 0 C--N 1.342 0.901 0 C-N-CA 125.186 1.374 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.336 10.7 pt-20 48.0 -133.47 1.3 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.931 1.293 . . . . 0.0 111.154 -158.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 66.94 -16.85 0.13 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.498 2.319 . . . . 0.0 115.286 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.88 172.87 49.55 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.274 1.892 . . . . 0.0 113.294 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.78 155.85 35.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.816 1.646 . . . . 0.0 110.489 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -84.51 -12.8 53.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -171.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.76 87.64 5.84 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.135 0.88 . . . . 0.0 111.002 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.5 p -118.14 93.14 44.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 124.843 1.257 . . . . 0.0 109.339 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.58 162.33 38.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 112.137 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -155.59 138.8 15.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.643 1.177 . . . . 0.0 111.698 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.182 1.793 . . . . 0.0 112.692 179.563 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.51 HD13 ' CE2' ' A' ' 19' ' ' TYR . 3.7 tp -52.71 -44.27 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.265 1.426 . . . . 0.0 114.074 -172.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.24 -28.56 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.06 -22.99 55.05 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.897 0.879 . . . . 0.0 111.78 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -87.52 -66.44 0.91 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.434 1.093 . . . . 0.0 109.589 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -29.38 70.38 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -163.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.19 -15.42 63.39 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -124.42 -28.2 3.66 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.032 1.733 . . . . 0.0 112.694 -171.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 m -127.14 156.09 42.32 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.003 2.521 . . . . 0.0 111.208 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.11 134.89 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.171 -0.956 . . . . 0.0 111.841 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.79 -113.61 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.254 1.421 . . . . 0.0 111.685 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m 89.61 148.18 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 128.888 2.875 . . . . 0.0 112.698 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.54 -44.85 66.06 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.31 -22.31 61.95 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -85.76 -48.18 9.05 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.297 1.039 . . . . 0.0 109.608 170.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.62 -31.11 67.79 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.177 1.391 . . . . 0.0 113.402 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.0 -27.46 68.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.744 0.818 . . . . 0.0 112.852 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -16.76 61.59 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.51 ' CE2' HD13 ' A' ' 2' ' ' ILE . 8.0 m-85 -108.05 9.78 28.35 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.158 1.383 . . . . 0.0 112.019 177.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.45 144.45 48.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.331 1.053 . . . . 0.0 111.443 172.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 124.012 0.925 . . . . 0.0 111.795 177.693 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t 78.28 148.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 128.233 2.613 . . . . 0.0 111.723 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -70.07 92.61 0.75 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.747 1.219 . . . . 0.0 110.297 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -155.85 179.61 9.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.054 0.942 . . . . 0.0 112.754 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -87.53 58.18 4.8 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.159 1.783 . . . . 0.0 112.91 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 137.3 58.17 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.884 -1.135 . . . . 0.0 112.065 -175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -136.16 151.03 49.33 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.215 1.006 . . . . 0.0 111.751 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.78 -125.74 37.48 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.636 0.636 . . . . 0.0 112.987 171.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -54.55 -49.44 70.32 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.235 1.014 . . . . 0.0 112.234 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.88 -35.72 69.26 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.963 -1.086 . . . . 0.0 113.097 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.03 -44.67 72.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.477 0.711 . . . . 0.0 111.363 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.58 -42.84 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.63 0.65 . . . . 0.0 111.669 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.44 -47.82 84.0 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.086 1.354 . . . . 0.0 111.096 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.74 75.1 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.609 0.763 . . . . 0.0 112.201 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.69 -42.32 78.87 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.39 0.676 . . . . 0.0 111.567 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -64.49 -41.47 96.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.474 0.71 . . . . 0.0 112.577 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.59 -40.85 89.1 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.958 0.799 . . . . 0.0 112.046 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.36 -52.46 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.491 1.116 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.72 -31.93 72.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.564 0.746 . . . . 0.0 112.556 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.1 -0.69 58.26 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 126.076 1.798 . . . . 0.0 115.295 169.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -172.87 167.96 5.06 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.332 2.253 . . . . 0.0 108.374 -168.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 72.3 -23.8 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.352 2.261 . . . . 0.0 115.687 161.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.69 14.28 70.72 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.201 1.382 . . . . 0.0 115.777 171.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 45.88 -166.66 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.457 1.903 . . . . 0.0 115.105 -174.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.48 -10.54 13.19 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -88.72 87.74 7.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.758 0.823 . . . . 0.0 110.872 174.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -117.2 85.93 19.97 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 124.791 1.236 . . . . 0.0 110.03 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.81 162.41 39.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.819 3.013 . . . . 0.0 112.113 -176.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -153.77 137.58 16.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.025 1.33 . . . . 0.0 111.312 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.251 1.155 0 C-N-CA 126.125 1.77 . . . . 0.0 110.86 -178.384 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 CA-C-O 121.263 0.368 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.94 -44.02 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -169.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.95 -37.9 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.535 0.734 . . . . 0.0 110.08 -169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.93 -12.9 54.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.078 1.751 . . . . 0.0 113.341 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.86 -64.9 1.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.707 1.203 . . . . 0.0 109.912 170.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 m -75.75 -26.04 57.07 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -164.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.34 -31.08 14.8 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.454 0.57 . . . . 0.0 112.183 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.2 m -77.84 -37.18 49.01 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.397 1.479 . . . . 0.0 112.486 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -139.89 -169.01 2.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.741 1.616 . . . . 0.0 111.05 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.39 127.52 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.828 -1.17 . . . . 0.0 111.444 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -90.31 156.77 18.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 112.08 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -151.99 156.68 40.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.521 0.729 . . . . 0.0 112.034 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -53.82 -43.04 69.05 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -73.05 -27.81 61.96 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -71.93 -49.46 37.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.92 -37.43 84.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.791 1.636 . . . . 0.0 113.665 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -28.01 68.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.89 -14.47 59.8 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -109.4 7.57 25.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.726 1.21 . . . . 0.0 112.962 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.72 140.01 51.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.713 1.205 . . . . 0.0 111.286 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.536 -0.728 . . . . 0.0 111.494 175.174 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t 73.65 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 128.954 2.901 . . . . 0.0 113.438 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.05 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.209 1.804 . . . . 0.0 110.817 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 82.49 159.67 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.193 2.597 . . . . 0.0 113.409 165.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -85.67 39.42 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.681 1.593 . . . . 0.0 112.015 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pp -63.92 133.52 53.41 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.78 1.632 . . . . 0.0 114.108 -167.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.1 m -128.13 157.3 41.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.701 2.0 . . . . 0.0 111.187 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.29 -119.49 13.67 Favored Glycine 0 N--CA 1.474 1.23 0 C-N-CA 123.937 0.779 . . . . 0.0 113.906 165.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -54.88 -53.04 60.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.294 1.037 . . . . 0.0 112.118 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.23 -39.58 60.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.501 1.12 . . . . 0.0 112.079 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.43 -38.24 71.38 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.985 0.914 . . . . 0.0 112.153 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.89 -43.82 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.246 1.019 . . . . 0.0 111.303 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.7 -45.45 92.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.21 0.604 . . . . 0.0 111.343 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.16 70.84 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.987 0.915 . . . . 0.0 111.225 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -55.91 -45.03 78.8 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.946 0.498 . . . . 0.0 111.96 175.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -62.29 -43.49 98.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.805 0.729 . . . . 0.0 112.543 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.7 -34.45 77.87 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.458 -0.776 . . . . 0.0 112.491 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.63 -52.6 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.807 0.843 . . . . 0.0 111.548 173.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 t -80.0 -25.54 40.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.84 -159.5 43.94 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.466 1.507 . . . . 0.0 112.854 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.18 -7.07 5.1 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -60.66 -29.75 69.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.512 1.525 . . . . 0.0 112.965 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.75 -174.99 52.29 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.809 1.195 . . . . 0.0 113.116 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -153.61 157.84 40.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.443 1.097 . . . . 0.0 112.556 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -90.11 -6.09 55.8 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.13 -38.55 90.99 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.3 p -23.52 103.18 0.1 Allowed Pre-proline 0 N--CA 1.484 1.227 0 C-N-CA 128.12 2.568 . . . . 0.0 113.823 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -75.86 158.02 38.96 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.647 2.898 . . . . 0.0 112.11 -163.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.32 19.72 0.74 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 129.757 3.223 . . . . 0.0 111.832 178.631 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 121.154 0.308 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -87.85 -50.38 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.28 -27.07 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 120.133 1.333 . . . . 0.0 113.455 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.7 -6.37 25.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 172.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.24 -62.13 1.58 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.588 1.555 . . . . 0.0 109.836 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.8 t -78.03 -30.71 50.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.56 -25.47 22.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.887 0.875 . . . . 0.0 112.434 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -84.51 -33.64 23.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.486 1.514 . . . . 0.0 112.568 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -136.8 -176.7 4.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.596 1.159 . . . . 0.0 112.336 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.36 133.23 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.699 1.2 . . . . 0.0 110.554 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -136.05 120.62 18.25 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.007 1.323 . . . . 0.0 111.998 -172.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -130.94 174.88 9.56 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.803 1.241 . . . . 0.0 112.772 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.1 -42.85 14.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -73.3 -22.99 60.22 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.68 -47.11 11.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.676 1.19 . . . . 0.0 109.095 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.47 -34.45 69.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.811 1.644 . . . . 0.0 112.973 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.17 -26.87 65.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.882 0.873 . . . . 0.0 113.198 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -65.48 -18.7 65.52 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.926 -1.109 . . . . 0.0 113.56 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.79 8.63 26.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.197 1.399 . . . . 0.0 112.245 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.74 140.19 45.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.88 1.272 . . . . 0.0 111.419 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.569 0.748 . . . . 0.0 111.626 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.61 173.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.597 1.959 . . . . 0.0 109.328 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -62.01 100.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.684 -1.26 . . . . 0.0 109.136 160.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.01 168.42 27.17 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.999 0.919 . . . . 0.0 111.797 -167.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -74.21 128.15 34.79 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.297 0.639 . . . . 0.0 109.688 164.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.37 126.19 54.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.801 0.84 . . . . 0.0 111.024 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.15 165.2 13.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -172.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.81 -49.48 2.1 Favored Glycine 0 N--CA 1.479 1.502 0 C-N-CA 126.405 1.955 . . . . 0.0 114.516 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.9 t -156.86 -40.88 0.07 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.57 1.948 . . . . 0.0 110.475 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -35.5 20.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.191 1.396 . . . . 0.0 113.71 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -41.23 98.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.411 1.484 . . . . 0.0 112.019 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -69.54 -43.34 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.25 1.02 . . . . 0.0 110.553 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.2 -45.15 93.05 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.43 -49.34 71.87 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.561 1.144 . . . . 0.0 112.097 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.9 mt -57.09 -41.85 79.63 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.668 0.387 . . . . 0.0 111.326 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.61 -39.56 93.94 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 173.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.18 -40.29 94.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.694 1.134 . . . . 0.0 112.056 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.71 -50.68 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.816 1.246 . . . . 0.0 111.329 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.15 -11.7 46.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 144.16 39.65 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.523 1.058 . . . . 0.0 114.15 -166.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.43 10.76 14.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.486 2.714 . . . . 0.0 114.507 0.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -73.88 -17.89 60.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -166.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.74 -171.98 51.42 Favored Glycine 0 N--CA 1.473 1.118 0 C-N-CA 124.682 1.134 . . . . 0.0 113.375 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 22.1 p80 -152.8 155.91 38.05 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.641 -0.917 . . . . 0.0 113.124 -175.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -83.09 -11.22 58.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.729 1.212 . . . . 0.0 114.029 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.14 -39.17 92.65 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -18.04 98.25 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 128.521 2.728 . . . . 0.0 113.898 -168.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.64 161.46 27.82 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.798 2.999 . . . . 0.0 112.071 -162.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -83.04 27.42 0.55 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.886 1.274 . . . . 0.0 113.435 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.122 2.169 . . . . 0.0 112.153 -179.585 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 111.866 -0.493 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.437 HG23 ' H ' ' A' ' 3' ' ' VAL . 8.7 tt -162.38 -69.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 126.534 1.934 . . . . 0.0 110.412 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 2' ' ' ILE . 8.2 p -66.98 -25.37 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.798 0.839 . . . . 0.0 111.857 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.44 -17.83 60.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.289 1.436 . . . . 0.0 112.74 171.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -106.06 -52.63 2.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.381 1.472 . . . . 0.0 110.103 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.83 -31.21 70.64 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -72.52 -16.26 61.78 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.126 -0.983 . . . . 0.0 113.579 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -125.43 -13.78 6.53 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.655 1.582 . . . . 0.0 114.073 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -147.1 155.89 42.55 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.052 1.741 . . . . 0.0 110.798 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -79.95 125.81 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 120.509 -1.37 . . . . 0.0 113.213 -162.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.11 95.52 6.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -83.74 168.93 15.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.201 1.0 . . . . 0.0 112.311 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -44.93 -44.61 9.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.956 1.702 . . . . 0.0 115.453 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.93 -23.63 62.29 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -90.06 -37.93 13.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.53 -35.55 72.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.404 1.081 . . . . 0.0 112.425 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.07 -26.19 65.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.944 0.897 . . . . 0.0 112.745 175.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -64.51 -18.58 64.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.059 -1.026 . . . . 0.0 113.354 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.93 7.09 29.82 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.046 1.338 . . . . 0.0 112.597 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -72.39 137.89 46.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.681 1.193 . . . . 0.0 111.235 175.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.614 -0.679 . . . . 0.0 111.883 177.252 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 m 61.39 148.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 130.714 3.606 . . . . 0.0 115.285 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -63.92 129.97 42.19 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.569 -0.707 . . . . 0.0 110.659 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -169.21 171.02 8.29 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.833 1.253 . . . . 0.0 109.938 -168.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.65 58.13 1.35 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.258 1.023 . . . . 0.0 111.286 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.04 133.4 38.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.866 2.066 . . . . 0.0 113.242 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t -155.27 141.94 18.89 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.353 0.661 . . . . 0.0 111.155 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.09 -129.1 45.71 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.711 0.672 . . . . 0.0 112.344 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -53.23 -47.1 69.27 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.617 1.167 . . . . 0.0 112.657 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -40.49 67.51 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.881 -1.137 . . . . 0.0 112.495 178.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -69.59 -41.93 75.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.95 0.9 . . . . 0.0 111.429 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.61 -45.45 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.091 0.86 . . . . 0.0 111.73 174.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.96 -46.84 87.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.54 1.136 . . . . 0.0 110.781 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.09 69.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.296 1.038 . . . . 0.0 111.971 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.68 -43.55 80.55 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.478 0.711 . . . . 0.0 111.57 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.18 -43.82 97.16 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.69 -32.96 73.14 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.423 -0.798 . . . . 0.0 112.631 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.21 -54.27 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.338 1.055 . . . . 0.0 111.219 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.25 -29.11 60.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -158.4 41.4 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.177 1.37 . . . . 0.0 112.607 -172.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.7 -11.32 11.39 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.26 -25.28 65.1 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.555 1.142 . . . . 0.0 113.021 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.68 -170.13 52.96 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.73 1.157 . . . . 0.0 113.767 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -148.1 154.87 40.77 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.391 1.076 . . . . 0.0 112.457 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -81.31 -10.59 59.54 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.642 1.177 . . . . 0.0 114.173 -175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.79 -38.24 88.48 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -20.19 99.92 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.3 2.64 . . . . 0.0 113.9 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.67 160.33 38.05 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.845 3.03 . . . . 0.0 112.138 -164.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -79.43 23.03 0.41 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.273 2.229 . . . . 0.0 112.52 -178.754 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -79.4 -66.0 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 127.98 2.512 . . . . 0.0 113.058 1.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.37 -27.39 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -163.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.26 -6.96 26.66 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.702 1.201 . . . . 0.0 113.25 175.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -120.63 -48.26 2.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.277 1.431 . . . . 0.0 110.556 167.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -79.29 -2.06 39.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -170.263 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.49 -22.6 11.58 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 163.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -91.8 -24.82 19.28 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.385 1.474 . . . . 0.0 113.367 -173.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -149.65 -172.94 4.27 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.167 1.387 . . . . 0.0 111.674 178.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.8 134.12 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.151 0.98 . . . . 0.0 110.545 177.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 t -140.37 149.19 42.37 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.268 1.027 . . . . 0.0 111.243 174.026 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -149.11 156.86 42.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.516 -149.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -49.72 -44.61 48.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -72.08 -22.3 61.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.31 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.55 -44.81 11.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.435 1.094 . . . . 0.0 110.064 172.021 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.98 -34.29 71.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.502 1.521 . . . . 0.0 113.407 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.96 -27.45 65.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.514 0.726 . . . . 0.0 112.822 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -63.72 -18.26 63.84 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.69 7.4 30.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.847 1.259 . . . . 0.0 112.534 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -67.96 145.2 54.76 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.412 1.085 . . . . 0.0 111.395 174.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.898 0.879 . . . . 0.0 112.682 -176.713 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -138.76 149.25 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.393 1.877 . . . . 0.0 108.874 178.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -42.15 116.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.573 1.949 . . . . 0.0 113.039 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -163.86 -177.09 4.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.753 2.021 . . . . 0.0 109.388 -173.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -78.34 -11.19 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -175.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt 55.16 -153.43 0.32 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.597 2.359 . . . . 0.0 111.508 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t 86.53 -28.72 0.06 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.565 2.346 . . . . 0.0 114.87 157.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.38 69.83 2.24 Favored Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.261 1.41 . . . . 0.0 111.634 176.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m 75.17 -4.79 2.3 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.156 2.582 . . . . 0.0 112.817 -169.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.37 -154.4 0.19 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.733 2.013 . . . . 0.0 112.921 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 76.9 -54.68 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.242 3.017 . . . . 0.0 110.864 170.593 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.93 -43.29 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.622 1.169 . . . . 0.0 110.365 161.19 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.61 -45.53 89.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.141 1.376 . . . . 0.0 111.039 175.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.05 71.34 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.832 0.853 . . . . 0.0 111.135 176.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.45 -46.54 76.77 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.614 0.765 . . . . 0.0 111.905 175.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.1 -43.79 95.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.585 0.63 . . . . 0.0 112.468 175.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.91 -36.03 75.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.642 0.777 . . . . 0.0 112.517 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.02 -53.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.204 1.002 . . . . 0.0 111.204 173.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t -71.09 -22.55 62.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.424 1.089 . . . . 0.0 113.746 -174.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.0 3.19 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.199 1.857 . . . . 0.0 114.534 168.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -164.71 158.35 17.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.978 1.311 . . . . 0.0 112.576 -176.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 73.83 4.0 4.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.822 2.449 . . . . 0.0 114.409 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.37 -144.6 19.98 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 125.218 1.389 . . . . 0.0 114.232 169.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -172.78 162.47 4.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.595 1.958 . . . . 0.0 111.702 -172.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -87.88 -8.88 55.22 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.82 -41.96 95.34 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.7 p -11.07 91.71 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 129.185 2.994 . . . . 0.0 114.125 -171.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.57 159.98 42.01 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.836 3.024 . . . . 0.0 112.359 -166.343 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -153.4 136.45 15.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.943 1.297 . . . . 0.0 111.413 178.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.4 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 125.872 1.669 . . . . 0.0 113.279 178.507 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -55.63 -32.43 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.76 -26.81 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.803 1.641 . . . . 0.0 113.311 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.31 -14.1 60.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.235 1.014 . . . . 0.0 112.806 176.234 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -109.12 -84.26 0.55 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.692 1.597 . . . . 0.0 108.903 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -56.41 -40.36 74.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -161.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.8 -18.05 62.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -111.66 -30.98 7.13 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.372 1.869 . . . . 0.0 112.086 -173.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -156.33 147.88 22.66 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.803 1.641 . . . . 0.0 111.126 -176.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 mt -68.0 132.35 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.542 -0.724 . . . . 0.0 112.5 -161.142 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -122.08 163.16 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.319 1.448 . . . . 0.0 111.833 176.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -146.19 174.38 11.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.287 1.435 . . . . 0.0 110.768 -170.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.13 -45.59 8.3 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -72.48 -23.48 61.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -84.13 -47.36 10.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.568 1.147 . . . . 0.0 109.517 171.058 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.84 -32.47 69.44 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.728 1.611 . . . . 0.0 113.204 179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.0 -26.78 66.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.707 0.803 . . . . 0.0 113.065 177.135 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -64.67 -17.49 64.12 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.974 -1.079 . . . . 0.0 113.758 177.109 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.35 5.85 27.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.418 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.04 141.58 49.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.259 1.423 . . . . 0.0 111.297 175.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.472 0.668 0 O-C-N 121.478 -0.763 . . . . 0.0 111.655 177.25 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.4 t -127.22 142.76 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.862 1.665 . . . . 0.0 109.519 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.98 134.35 55.65 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.473 1.109 . . . . 0.0 113.285 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -177.77 179.61 0.87 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.459 2.704 . . . . 0.0 108.332 -173.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.62 58.74 1.84 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.967 0.907 . . . . 0.0 111.927 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 mt -49.23 129.48 18.21 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.51 1.924 . . . . 0.0 111.749 -173.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.22 142.96 22.89 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.267 0.627 . . . . 0.0 112.145 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.95 -123.47 28.4 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.329 0.49 . . . . 0.0 111.944 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -53.01 -53.09 55.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.544 1.138 . . . . 0.0 112.459 177.379 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -48.1 -43.43 30.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.902 1.281 . . . . 0.0 113.06 173.388 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.87 -38.37 57.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.822 0.849 . . . . 0.0 112.129 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.84 -42.5 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.986 0.915 . . . . 0.0 111.39 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.76 -47.74 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.723 1.209 . . . . 0.0 110.981 175.5 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.35 73.81 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.678 0.791 . . . . 0.0 111.554 177.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.33 -43.39 83.32 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.201 0.601 . . . . 0.0 111.956 176.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.53 -44.36 96.55 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.92 0.782 . . . . 0.0 112.432 174.151 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.63 -31.82 71.25 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.529 0.732 . . . . 0.0 112.609 -178.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.21 -54.65 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.143 0.977 . . . . 0.0 111.362 170.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.2 t -79.28 -34.87 42.12 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -166.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.53 -171.86 31.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.622 1.582 . . . . 0.0 113.68 -174.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.91 -15.11 58.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.507 1.523 . . . . 0.0 114.613 -174.105 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.2 -16.69 63.8 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.101 1.36 . . . . 0.0 114.057 171.216 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 -171.23 54.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.999 1.285 . . . . 0.0 114.345 171.061 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -147.8 159.84 43.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.295 1.438 . . . . 0.0 111.92 -174.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -84.82 -13.74 50.15 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -173.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -80.18 88.99 5.43 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.257 0.935 . . . . 0.0 111.097 171.132 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -118.44 88.94 35.12 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 124.543 1.137 . . . . 0.0 108.452 174.255 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.66 161.22 44.53 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.039 3.159 . . . . 0.0 112.252 -169.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -158.82 136.63 10.34 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.88 1.272 . . . . 0.0 111.442 177.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.483 1.188 0 C-N-CA 125.358 1.463 . . . . 0.0 111.026 176.09 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp -49.9 -46.53 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 125.689 1.596 . . . . 0.0 114.695 -164.215 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.4 -49.62 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.64 -45.56 86.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.253 0.621 . . . . 0.0 111.473 -174.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.73 -21.84 63.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.4 m -104.69 -31.25 9.45 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -100.85 -28.68 12.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.228 1.011 . . . . 0.0 113.322 -174.163 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -103.82 -44.12 5.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.082 1.353 . . . . 0.0 110.536 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.0 m -97.71 179.89 4.67 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.161 0.984 . . . . 0.0 111.745 163.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.5 mm -98.11 137.91 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.666 1.186 . . . . 0.0 110.23 174.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -126.65 167.48 15.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.722 1.209 . . . . 0.0 112.998 176.06 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -145.1 167.46 22.67 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.145 1.378 . . . . 0.0 112.603 -174.206 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -47.58 -45.43 27.25 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.451 1.901 . . . . 0.0 115.457 -173.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.38 -23.21 62.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.324 -0.86 . . . . 0.0 113.252 -176.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.34 -44.32 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.21 1.004 . . . . 0.0 110.156 170.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.48 -30.44 68.54 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.597 1.159 . . . . 0.0 113.468 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.95 -26.17 67.33 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.506 -0.746 . . . . 0.0 112.804 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 177.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.53 5.76 31.71 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 0.0 112.448 178.575 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.85 139.12 53.05 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.168 1.387 . . . . 0.0 111.442 174.575 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.758 0.789 . . . . 0.0 111.557 179.046 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.24 150.01 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.115 1.366 . . . . 0.0 109.781 175.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.82 127.72 24.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.388 1.075 . . . . 0.0 112.503 174.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -169.51 166.78 10.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.37 1.868 . . . . 0.0 109.684 -173.512 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -71.74 118.79 15.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.77 -0.581 . . . . 0.0 110.831 170.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.2 mt -108.02 122.88 47.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.738 1.615 . . . . 0.0 109.843 177.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.4 m -134.97 138.07 43.67 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.689 1.196 . . . . 0.0 110.094 -176.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -121.79 25.25 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.868 0.747 . . . . 0.0 112.932 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -53.52 -38.78 64.08 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.924 1.29 . . . . 0.0 113.419 177.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.6 94.93 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.207 -0.933 . . . . 0.0 111.627 177.095 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -43.36 74.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.377 1.471 . . . . 0.0 110.242 176.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.03 -49.23 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.321 1.049 . . . . 0.0 111.927 174.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.74 -32.52 69.71 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.058 0.844 . . . . 0.0 112.461 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.67 68.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.992 0.815 . . . . 0.0 111.296 171.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 24.0 mt -54.9 -44.93 74.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.663 0.785 . . . . 0.0 111.432 175.226 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.06 -40.75 98.64 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.23 -39.7 82.23 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.422 1.01 . . . . 0.0 111.82 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.11 -52.11 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.554 1.142 . . . . 0.0 110.851 175.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.32 -34.17 63.39 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -174.041 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.1 -161.01 39.18 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.004 1.288 . . . . 0.0 112.483 -170.403 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 -12.64 16.24 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.2 -30.89 70.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.902 1.281 . . . . 0.0 113.175 173.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 -173.19 47.39 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.433 1.016 . . . . 0.0 113.369 -177.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.6 p80 -144.98 158.22 43.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.324 1.05 . . . . 0.0 112.902 -174.704 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -85.08 -9.73 57.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.756 1.222 . . . . 0.0 114.181 -177.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.72 -37.22 86.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -175.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.3 p -21.61 99.84 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.377 0 C-N-CA 128.332 2.653 . . . . 0.0 113.537 -168.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.2 140.72 25.24 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.231 2.62 . . . . 0.0 111.411 -161.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -151.19 144.18 24.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 128.642 2.777 . . . . 0.0 111.258 -2.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.07 1.748 . . . . 0.0 113.447 179.434 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -53.73 -37.39 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 125.303 1.441 . . . . 0.0 114.059 -172.042 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.5 t -67.0 -21.01 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.927 1.291 . . . . 0.0 112.158 -178.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.23 -3.39 31.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.663 1.585 . . . . 0.0 112.49 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -133.29 -52.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.158 0.983 . . . . 0.0 112.319 -163.267 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.23 -45.25 6.58 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.566 1.146 . . . . 0.0 110.729 176.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 137.08 50.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.691 171.384 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p 76.74 7.23 3.26 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 128.682 2.793 . . . . 0.0 113.978 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -138.1 174.77 10.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.261 1.424 . . . . 0.0 111.141 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.23 116.87 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.224 -0.923 . . . . 0.0 109.258 174.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -136.79 95.72 3.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.057 0.943 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -88.34 174.9 7.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.816 1.246 . . . . 0.0 112.627 -177.637 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.54 -42.61 33.9 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -174.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -74.24 -22.15 59.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -82.72 -47.79 11.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 108.981 171.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.5 -36.54 69.29 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.322 1.849 . . . . 0.0 113.024 178.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.47 -27.24 65.94 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -63.95 -17.34 63.16 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.88 7.69 28.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.875 1.27 . . . . 0.0 112.166 176.285 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -73.81 166.17 23.8 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.005 0.922 . . . . 0.0 111.251 168.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.495 1.118 . . . . 0.0 114.005 177.11 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 p90 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.12 165.26 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 126.959 2.104 . . . . 0.0 108.721 -177.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -59.58 103.82 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 O-C-N 120.717 -1.239 . . . . 0.0 110.378 165.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -162.32 169.83 19.92 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.945 1.298 . . . . 0.0 110.555 -166.147 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.0 69.56 3.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.438 1.095 . . . . 0.0 112.525 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.21 134.9 57.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.128 1.371 . . . . 0.0 111.532 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 178.67 158.02 0.51 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.686 1.994 . . . . 0.0 111.941 168.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.74 63.62 4.03 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.395 1.474 . . . . 0.0 116.626 161.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -113.17 15.32 19.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.414 2.686 . . . . 0.0 112.741 3.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -46.06 -33.97 3.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.86 2.064 . . . . 0.0 114.301 -171.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -45.17 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.948 2.099 . . . . 0.0 112.547 172.894 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.02 -39.9 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.849 1.26 . . . . 0.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.92 -45.12 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 110.792 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.86 80.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.353 1.061 . . . . 0.0 111.698 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -57.97 -42.53 85.23 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.56 175.315 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -61.36 -43.1 99.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.421 1.009 . . . . 0.0 112.376 173.637 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.06 -35.15 79.21 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.45 -0.781 . . . . 0.0 112.685 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.61 -52.5 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.543 1.137 . . . . 0.0 111.778 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -79.18 -22.53 44.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.419 1.487 . . . . 0.0 114.273 -171.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.57 -165.37 42.4 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.181 1.848 . . . . 0.0 113.868 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -57.18 -17.35 10.82 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.999 1.719 . . . . 0.0 113.763 177.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -60.62 -35.63 76.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.82 1.648 . . . . 0.0 112.865 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.15 147.93 7.53 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.466 1.508 . . . . 0.0 113.495 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.73 163.31 12.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.935 1.694 . . . . 0.0 112.691 172.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -85.27 -15.45 43.4 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.25 -42.5 88.48 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -3.98 86.53 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.427 0 C-N-CA 129.269 3.028 . . . . 0.0 114.289 -176.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.42 159.45 46.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.073 3.182 . . . . 0.0 112.378 -166.533 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -154.36 137.39 15.51 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.941 1.297 . . . . 0.0 111.45 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.174 1.789 . . . . 0.0 112.584 -179.848 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.984 -0.446 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp -48.44 -43.45 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 125.981 1.712 . . . . 0.0 114.583 -171.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.74 -25.86 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -176.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.03 -13.51 61.62 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.812 0.845 . . . . 0.0 112.342 176.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -100.83 -56.9 2.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.405 1.082 . . . . 0.0 110.401 172.273 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.88 -26.39 57.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.278 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.1 m -91.23 98.61 11.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 109.988 164.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -119.43 109.8 16.18 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.241 3.416 . . . . 0.0 109.611 -7.248 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -163.39 155.53 17.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.648 1.579 . . . . 0.0 110.66 175.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.2 123.98 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.955 -175.42 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.98 135.4 49.86 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.913 1.285 . . . . 0.0 110.837 174.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.9 m -133.52 161.34 34.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.187 0.995 . . . . 0.0 113.245 -168.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.67 -43.51 26.43 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -172.114 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -72.84 -23.78 60.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.22 -49.94 10.17 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.612 1.165 . . . . 0.0 108.608 170.529 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -29.48 66.68 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.683 1.593 . . . . 0.0 113.222 -178.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 23.5 tt0 -61.01 -27.17 68.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.358 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.25 -16.33 63.93 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.171 -0.956 . . . . 0.0 113.571 176.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -103.79 2.84 33.33 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.741 1.216 . . . . 0.0 112.268 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -69.77 147.72 50.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.591 0.756 . . . . 0.0 111.894 174.676 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.549 0.739 . . . . 0.0 111.946 178.74 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.51 151.77 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.945 1.698 . . . . 0.0 109.622 179.204 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -55.89 111.93 1.05 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.019 1.328 . . . . 0.0 110.854 174.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -162.26 175.7 11.36 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.338 1.055 . . . . 0.0 111.384 -169.098 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -76.44 70.76 3.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.142 1.377 . . . . 0.0 111.919 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.99 114.1 1.97 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.984 1.314 . . . . 0.0 112.273 -170.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -170.13 145.23 2.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.395 0.678 . . . . 0.0 111.739 -162.441 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.3 -98.98 0.68 Allowed Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.397 0.999 . . . . 0.0 112.787 170.028 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -77.25 18.39 0.4 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.287 1.835 . . . . 0.0 113.453 172.282 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 168.76 25.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 128.256 2.622 . . . . 0.0 112.162 179.143 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.7 tp 111.97 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.69 1 C-N-CA 132.909 4.484 . . . . 0.0 112.012 175.436 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.12 -37.41 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.033 0.933 . . . . 0.0 109.758 172.6 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -60.98 -52.98 62.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.256 3.422 . . . . 0.0 110.388 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -51.05 68.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.853 1.261 . . . . 0.0 111.555 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.6 mt -53.89 -48.07 70.46 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.095 0.558 . . . . 0.0 110.259 174.626 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.14 -40.24 84.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.449 1.022 . . . . 0.0 113.277 175.19 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.82 -35.3 78.37 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.075 -1.016 . . . . 0.0 112.813 176.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.17 -54.6 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.69 1.196 . . . . 0.0 111.166 174.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.36 -21.79 48.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.43 1.892 . . . . 0.0 114.683 -170.41 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.57 -162.73 54.16 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.615 1.102 . . . . 0.0 113.053 -175.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.56 -20.05 59.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.037 1.335 . . . . 0.0 113.194 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -65.3 -27.78 68.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.48 1.112 . . . . 0.0 112.63 173.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -164.45 54.77 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.121 1.343 . . . . 0.0 115.091 170.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 17.2 p80 -145.14 164.13 32.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.818 2.047 . . . . 0.0 111.745 -173.079 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -89.17 -9.38 51.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -175.325 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.16 -46.21 78.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.274 0.943 . . . . 0.0 112.82 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -2.06 83.79 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 C-N-CA 129.221 3.008 . . . . 0.0 114.523 -177.015 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.12 156.89 51.31 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.057 3.171 . . . . 0.0 112.225 -168.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.03 123.08 21.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.478 0.711 . . . . 0.0 111.435 174.215 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.922 1.689 . . . . 0.0 113.189 178.05 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.26 1.9 tp 179.93 -90.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 129.133 2.973 . . . . 0.0 108.422 179.016 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -77.37 117.65 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 160.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 60.55 98.14 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.586 1.554 . . . . 0.0 108.582 -138.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.16 -39.72 94.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 129.345 3.058 . . . . 0.0 114.826 10.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.6 m -68.97 149.91 48.29 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.383 0.992 . . . . 0.0 112.365 -168.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t 72.31 -35.61 0.33 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.42 2.288 . . . . 0.0 113.497 -177.497 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -71.73 -40.28 69.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.949 1.7 . . . . 0.0 110.109 165.821 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -140.48 -177.54 5.09 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.71 1.604 . . . . 0.0 111.828 173.018 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.06 137.07 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.918 1.287 . . . . 0.0 110.557 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.16 144.9 46.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 112.003 162.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -148.08 161.56 41.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.322 2.249 . . . . 0.0 108.956 -172.076 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.07 -44.29 20.82 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -170.13 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -72.44 -22.88 61.03 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.731 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -88.61 -41.25 12.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.372 1.069 . . . . 0.0 110.462 171.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.09 -33.0 71.49 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.386 1.475 . . . . 0.0 113.063 177.411 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.02 -26.69 64.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.647 1.179 . . . . 0.0 112.919 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.66 -17.62 63.12 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.149 -0.969 . . . . 0.0 113.609 174.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -108.35 7.94 27.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.613 1.565 . . . . 0.0 112.416 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -79.11 142.3 36.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.676 1.19 . . . . 0.0 111.395 175.82 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 123.854 0.862 . . . . 0.0 112.342 -179.116 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t 76.19 132.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 128.743 2.817 . . . . 0.0 112.151 173.218 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -58.15 126.2 26.46 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.313 1.045 . . . . 0.0 112.056 173.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -171.2 177.52 3.6 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.764 1.626 . . . . 0.0 109.914 -172.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -75.04 64.8 1.39 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.925 1.29 . . . . 0.0 111.336 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -55.49 122.75 11.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.771 1.628 . . . . 0.0 112.379 -173.667 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -176.5 3.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.708 1.603 . . . . 0.0 109.643 176.383 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.21 133.39 26.23 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 111.111 173.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -88.68 -14.67 36.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.346 3.058 . . . . 0.0 114.79 -0.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -38.81 10.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.084 1.754 . . . . 0.0 114.616 -174.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.33 77.72 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.684 1.594 . . . . 0.0 111.635 177.116 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.22 -44.97 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.428 1.091 . . . . 0.0 110.45 175.196 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.34 -45.48 92.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.295 1.038 . . . . 0.0 110.774 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.92 70.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.768 1.227 . . . . 0.0 112.024 176.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.92 -37.76 80.39 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.971 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -65.1 -41.34 95.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.588 1.085 . . . . 0.0 112.503 172.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.26 -38.66 91.0 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.19 0.905 . . . . 0.0 112.251 176.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.66 -52.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.587 1.155 . . . . 0.0 111.608 176.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.16 -20.16 27.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.259 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.03 -168.38 50.73 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.988 1.28 . . . . 0.0 114.217 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.96 -17.51 63.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.378 1.471 . . . . 0.0 114.506 -173.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -5.84 45.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 175.565 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 -178.18 51.71 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.926 1.25 . . . . 0.0 114.718 167.308 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -143.72 159.18 42.96 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 126.123 1.769 . . . . 0.0 112.067 -175.443 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -85.69 -9.49 57.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -64.37 -40.33 95.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.005 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -15.05 95.09 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.908 2.883 . . . . 0.0 113.966 -169.188 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.74 159.83 41.7 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.843 3.029 . . . . 0.0 112.359 -164.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -153.84 136.26 15.01 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.03 1.332 . . . . 0.0 111.372 178.08 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.832 1.653 . . . . 0.0 113.367 179.094 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.44 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -67.0 157.7 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.097 175.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.09 -19.82 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 1 C-N-CA 132.749 4.42 . . . . 0.0 115.522 1.051 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.63 165.13 12.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.206 1.002 . . . . 0.0 112.383 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 77.48 -58.86 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.48 2.712 . . . . 0.0 109.985 -176.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.13 -38.46 69.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.749 0.82 . . . . 0.0 112.75 -176.284 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.34 -21.56 53.17 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 167.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -83.18 -37.34 23.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.853 1.661 . . . . 0.0 112.359 -171.379 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -140.92 -167.76 2.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.929 1.292 . . . . 0.0 111.917 -178.028 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.21 123.04 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 120.992 -1.068 . . . . 0.0 110.577 176.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -119.56 148.92 42.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.505 1.522 . . . . 0.0 111.619 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 m -157.55 161.66 38.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.347 1.459 . . . . 0.0 110.786 -165.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -42.0 -48.76 4.64 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.096 1.758 . . . . 0.0 115.716 -178.243 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -70.21 -25.31 63.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -82.97 -43.45 16.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.302 1.041 . . . . 0.0 109.91 171.66 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.38 -35.86 72.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.167 1.387 . . . . 0.0 112.616 177.11 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 25.6 tt0 -60.08 -26.51 66.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.632 0.773 . . . . 0.0 113.054 177.819 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.9 -20.15 65.63 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.286 -0.884 . . . . 0.0 113.364 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD2' HD12 ' A' ' 2' ' ' ILE . 9.9 m-85 -105.55 8.14 33.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.971 1.308 . . . . 0.0 112.406 179.592 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 86.2 m -72.1 151.28 43.17 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.377 -0.827 . . . . 0.0 112.399 175.647 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 111.656 174.61 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 p90 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 t 77.69 144.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.984 2.514 . . . . 0.0 111.692 174.272 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -50.88 130.33 25.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.307 1.443 . . . . 0.0 112.96 175.579 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -169.92 167.46 9.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.98 1.312 . . . . 0.0 111.149 -172.09 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -73.94 118.74 17.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 164.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 tp -132.39 124.05 27.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.964 0.906 . . . . 0.0 110.506 -158.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -155.77 150.98 26.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.691 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.97 -126.12 25.98 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 123.931 0.777 . . . . 0.0 112.216 177.109 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -53.86 -42.96 69.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.016 0.926 . . . . 0.0 112.246 175.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -56.91 -42.33 79.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.135 0.974 . . . . 0.0 112.014 175.317 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.47 -46.46 69.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.762 0.825 . . . . 0.0 110.779 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.22 -46.65 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 118.591 0.632 . . . . 0.0 112.267 178.04 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.72 -37.96 82.94 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.33 0.514 . . . . 0.0 111.856 -177.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.44 66.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.126 0.971 . . . . 0.0 112.026 175.561 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 39.1 mt -54.34 -49.38 69.87 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 118.82 -0.609 . . . . 0.0 109.949 174.827 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.13 -40.59 81.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.409 1.004 . . . . 0.0 113.133 174.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.88 -38.92 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.404 1.002 . . . . 0.0 112.519 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.66 -54.44 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.063 1.345 . . . . 0.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -75.38 -23.59 57.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.059 1.744 . . . . 0.0 114.367 -172.076 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.13 52.29 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.571 1.081 . . . . 0.0 113.125 -177.333 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.62 -21.0 59.81 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.164 1.385 . . . . 0.0 113.416 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.85 -30.74 71.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.555 1.142 . . . . 0.0 112.564 173.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.41 -162.09 54.46 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.039 1.304 . . . . 0.0 114.508 174.584 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 15.6 p80 -149.95 158.48 44.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.505 1.922 . . . . 0.0 111.517 -173.384 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -81.96 -15.03 55.18 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -81.47 100.83 9.53 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.247 1.019 . . . . 0.0 111.782 177.721 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.7 p -132.34 83.72 54.1 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 124.604 1.162 . . . . 0.0 108.48 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.47 136.72 40.62 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.764 2.976 . . . . 0.0 112.244 -164.568 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 119.0 17.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.141 2.177 . . . . 0.0 111.828 -5.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.734 1.614 . . . . 0.0 112.169 -172.322 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.45 -47.33 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 125.24 1.416 . . . . 0.0 113.938 -169.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.31 -36.33 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.1 0.56 . . . . 0.0 110.774 -175.452 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.51 -54.22 26.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.247 0.619 . . . . 0.0 109.952 178.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.12 -38.05 81.8 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -76.71 -22.66 53.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.015 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -92.44 -22.75 19.44 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.797 1.181 . . . . 0.0 113.163 178.555 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -97.21 -18.76 19.05 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.911 1.284 . . . . 0.0 113.956 175.614 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -141.67 176.83 8.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.801 1.24 . . . . 0.0 112.041 175.078 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.31 133.06 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.804 -1.185 . . . . 0.0 111.16 -177.656 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 m -117.62 148.3 42.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.897 0.879 . . . . 0.0 111.919 163.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 m -150.01 160.81 43.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.038 1.735 . . . . 0.0 110.217 -168.053 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -48.45 -44.51 35.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.29 -22.48 61.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -87.0 -42.69 12.91 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.523 1.129 . . . . 0.0 110.166 171.244 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.93 -31.53 71.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.951 1.3 . . . . 0.0 113.33 178.326 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.9 -26.62 64.47 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.993 0.917 . . . . 0.0 112.855 177.477 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -64.56 -17.1 63.64 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.401 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -106.53 6.91 30.55 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 0.0 112.645 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.66 141.14 49.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.841 1.257 . . . . 0.0 111.416 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.537 -0.727 . . . . 0.0 111.481 174.989 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.08 157.8 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.111 1.764 . . . . 0.0 110.528 174.525 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -53.24 129.85 32.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 113.217 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -176.4 -172.72 0.49 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.753 2.421 . . . . 0.0 109.105 -174.705 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.78 117.51 19.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.541 0.737 . . . . 0.0 110.55 169.5 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.17 117.91 35.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.748 2.019 . . . . 0.0 110.04 -178.014 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 29.2 m -131.19 127.23 37.51 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.011 1.324 . . . . 0.0 110.019 -177.018 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -115.42 7.75 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 123.77 0.7 . . . . 0.0 113.489 171.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.7 p -53.84 -51.08 64.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.562 1.145 . . . . 0.0 112.428 178.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -53.02 -40.8 64.14 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.028 -1.045 . . . . 0.0 113.081 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.27 -46.3 74.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.511 0.724 . . . . 0.0 111.187 176.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.2 t -61.68 -44.63 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.896 0.771 . . . . 0.0 112.149 176.441 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.04 -46.92 87.01 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.946 1.298 . . . . 0.0 110.982 178.593 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.52 78.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.777 0.831 . . . . 0.0 112.143 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.66 -41.86 77.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.505 0.722 . . . . 0.0 111.656 176.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.93 -40.73 91.66 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 173.344 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.32 -35.97 80.52 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.519 1.054 . . . . 0.0 112.384 177.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.6 -56.19 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.441 1.096 . . . . 0.0 111.156 174.118 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.4 t -77.56 -25.0 49.72 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.014 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.8 -158.39 42.8 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.369 1.462 . . . . 0.0 112.88 -176.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.84 -7.88 9.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.162 1.385 . . . . 0.0 114.058 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -58.4 -30.34 66.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.421 1.488 . . . . 0.0 112.869 170.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.23 -176.34 41.26 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.721 1.153 . . . . 0.0 112.815 -173.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -146.31 158.79 43.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.585 1.154 . . . . 0.0 111.727 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -79.06 -13.58 59.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -174.174 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -81.74 83.26 7.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.325 -0.859 . . . . 0.0 111.565 171.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -113.85 89.29 15.91 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 124.733 1.213 . . . . 0.0 109.742 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.51 159.61 42.73 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.687 2.925 . . . . 0.0 112.176 -176.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -72.73 131.46 42.38 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.133 0.573 . . . . 0.0 112.109 170.576 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.674 1.59 . . . . 0.0 110.854 171.391 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -54.42 -34.94 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 125.296 1.439 . . . . 0.0 114.816 -170.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.18 -22.54 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.718 1.607 . . . . 0.0 111.991 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.79 -15.48 63.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.267 1.027 . . . . 0.0 112.878 176.245 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.3 -45.81 1.0 Allowed 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.427 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -80.76 -33.12 35.26 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.49 1.495 . . . . 0.0 113.216 -171.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -86.69 106.0 17.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.169 0.988 . . . . 0.0 110.24 167.17 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -122.61 109.08 13.84 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.37 3.068 . . . . 0.0 107.88 -4.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -162.71 178.75 8.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.349 1.459 . . . . 0.0 111.175 -174.561 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.83 125.13 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.521 -0.737 . . . . 0.0 109.877 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.86 148.1 52.59 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.453 1.101 . . . . 0.0 110.814 165.277 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -138.19 164.3 29.53 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.309 1.444 . . . . 0.0 110.99 -168.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.65 -45.42 13.98 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -170.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -72.27 -21.22 61.4 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -88.57 -45.13 10.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.473 1.109 . . . . 0.0 109.907 170.493 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.33 -31.76 72.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.321 1.448 . . . . 0.0 113.444 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.86 -27.77 66.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.095 0.958 . . . . 0.0 112.911 177.704 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.04 -17.27 62.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.217 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -107.3 7.59 29.33 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.054 1.342 . . . . 0.0 112.206 175.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.66 142.33 51.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.87 0.868 . . . . 0.0 110.619 171.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -167.893 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.1 t -134.29 147.57 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.583 1.953 . . . . 0.0 108.222 176.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -49.42 124.22 8.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.479 1.112 . . . . 0.0 112.9 178.405 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -168.45 174.66 6.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.068 2.147 . . . . 0.0 108.828 -172.595 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -72.28 98.99 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.905 -0.497 . . . . 0.0 111.79 178.231 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.06 162.48 19.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.586 1.154 . . . . 0.0 111.521 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 27.0 t -176.73 160.07 1.89 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.481 2.312 . . . . 0.0 109.573 157.474 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.64 -126.53 42.49 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 123.961 0.791 . . . . 0.0 113.151 169.876 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -52.61 -46.79 67.17 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.361 1.064 . . . . 0.0 112.434 176.031 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -35.0 73.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.575 -1.328 . . . . 0.0 113.047 177.182 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -73.46 -37.87 65.64 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.664 0.786 . . . . 0.0 111.582 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.88 -44.48 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.597 0.759 . . . . 0.0 111.442 169.671 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.32 -45.95 90.93 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.883 1.273 . . . . 0.0 111.01 177.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.27 69.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.807 0.843 . . . . 0.0 111.524 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.92 -42.82 80.68 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.942 0.497 . . . . 0.0 111.927 176.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.6 -44.4 97.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.641 0.776 . . . . 0.0 112.197 174.608 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.76 -31.54 69.55 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.311 -0.868 . . . . 0.0 112.778 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.03 -54.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.177 0.991 . . . . 0.0 111.59 172.253 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -73.37 -30.03 63.02 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.483 1.113 . . . . 0.0 113.949 -171.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 -160.02 16.94 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.778 1.656 . . . . 0.0 112.964 -178.006 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.02 -17.6 64.99 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.816 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -69.27 132.94 47.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.812 1.645 . . . . 0.0 111.53 170.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.62 117.45 4.41 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.299 0.952 . . . . 0.0 112.873 -173.779 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -65.56 160.48 22.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.809 1.244 . . . . 0.0 113.634 172.172 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -86.28 -9.31 56.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -173.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.14 -40.92 95.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.9 p -20.72 99.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 128.443 2.697 . . . . 0.0 113.751 -167.061 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.16 158.24 41.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.658 2.905 . . . . 0.0 112.545 -164.065 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.52 145.85 36.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.104 0.562 . . . . 0.0 112.461 165.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.293 1.837 . . . . 0.0 112.428 178.575 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -170.95 -50.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 127.088 2.155 . . . . 0.0 111.642 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.12 -31.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.857 1.263 . . . . 0.0 110.849 -177.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.18 -19.63 61.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.404 1.882 . . . . 0.0 113.047 174.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -104.88 -55.24 2.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.812 1.245 . . . . 0.0 110.19 171.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.3 m -63.0 -30.44 71.6 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -172.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.6 -13.46 51.58 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.055 -1.028 . . . . 0.0 113.15 174.65 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.7 m -102.31 -34.59 9.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.601 1.96 . . . . 0.0 111.889 -173.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -145.51 177.67 8.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.817 . . . . 0.0 111.624 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.19 133.09 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.042 -1.036 . . . . 0.0 110.275 177.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.39 127.2 37.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.847 0.832 . . . . 0.0 112.523 166.465 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.7 m -121.2 174.77 6.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.676 1.591 . . . . 0.0 112.225 -171.725 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.66 -47.5 3.96 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -176.268 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -70.96 -24.31 62.39 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.697 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.71 -45.33 14.58 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.676 1.19 . . . . 0.0 109.206 170.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.84 -32.63 72.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.65 1.58 . . . . 0.0 113.352 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.81 -26.63 64.29 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.774 0.829 . . . . 0.0 112.878 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -64.51 -17.19 63.67 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 176.521 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -107.7 6.6 27.84 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.124 1.369 . . . . 0.0 112.542 176.54 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.41 139.0 49.57 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.74 1.216 . . . . 0.0 111.103 175.63 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 111.451 175.868 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.96 145.21 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.128 1.371 . . . . 0.0 110.916 -177.532 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.2 98.76 1.76 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.878 1.271 . . . . 0.0 110.074 172.399 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -156.34 -174.75 5.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 -172.461 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -80.9 70.16 7.64 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.239 1.416 . . . . 0.0 111.663 -177.047 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.89 121.11 8.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.143 1.377 . . . . 0.0 111.701 -171.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -164.18 -110.72 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.271 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.25 107.72 3.58 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.368 1.461 . . . . 0.0 112.185 -178.118 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -111.51 126.36 54.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.869 2.868 . . . . 0.0 110.152 -10.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -176.49 -159.5 0.06 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.169 2.588 . . . . 0.0 110.76 -167.688 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp 75.79 -50.05 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.212 3.005 . . . . 0.0 112.214 166.549 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.0 -47.72 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.119 1.367 . . . . 0.0 110.841 167.574 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.87 -37.77 82.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.29 0.636 . . . . 0.0 112.166 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.59 75.79 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.556 -0.715 . . . . 0.0 111.94 172.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.3 mt -57.7 -42.12 83.05 Favored 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 123.839 0.856 . . . . 0.0 111.905 176.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -63.43 -43.02 98.65 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.845 0.748 . . . . 0.0 112.458 173.367 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.77 -32.89 72.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.06 0.845 . . . . 0.0 112.519 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -72.33 -56.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 172.319 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.42 -25.57 46.09 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -169.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.12 -158.09 41.8 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.402 1.477 . . . . 0.0 113.047 -176.353 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.39 -14.04 16.63 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.814 1.646 . . . . 0.0 113.781 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -55.75 -31.14 62.29 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.781 1.632 . . . . 0.0 113.346 173.668 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.28 -173.66 48.49 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.69 1.138 . . . . 0.0 113.043 -174.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 28.0 p80 -152.61 161.36 42.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.524 1.13 . . . . 0.0 112.228 -176.691 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -86.91 -11.64 50.06 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.329 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -81.45 82.16 7.34 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.357 0.98 . . . . 0.0 111.209 170.139 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -113.41 89.3 14.66 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 124.854 1.262 . . . . 0.0 109.069 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.18 158.53 48.86 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.655 2.903 . . . . 0.0 111.973 -174.324 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -70.35 119.4 14.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.579 0.752 . . . . 0.0 111.387 176.248 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.921 2.088 . . . . 0.0 114.232 174.534 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.4 tt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.28 -28.45 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.398 1.479 . . . . 0.0 111.977 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.39 -15.01 62.35 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.613 1.165 . . . . 0.0 113.073 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -119.18 -46.91 2.5 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.605 1.162 . . . . 0.0 111.645 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -100.95 3.27 41.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -164.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.93 -21.24 13.66 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 158.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -93.78 -31.58 14.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.402 1.881 . . . . 0.0 112.476 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -143.83 -158.78 0.91 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.229 2.212 . . . . 0.0 110.076 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.53 126.36 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 124.57 1.148 . . . . 0.0 111.884 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 134.77 34.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.266 0.626 . . . . 0.0 109.605 159.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 162.32 23.36 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.492 1.117 . . . . 0.0 110.282 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -46.77 -43.67 18.38 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -72.87 -23.43 60.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -86.57 -43.51 12.63 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.259 1.024 . . . . 0.0 110.218 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.51 -36.85 69.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.614 1.565 . . . . 0.0 112.634 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.26 -27.5 67.29 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.67 -19.82 65.21 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.157 -0.964 . . . . 0.0 113.554 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -104.76 4.67 32.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.727 1.211 . . . . 0.0 112.025 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.08 146.39 53.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.051 0.94 . . . . 0.0 110.27 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.163 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.59 144.65 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.078 1.751 . . . . 0.0 108.982 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -53.36 121.63 8.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.07 1.348 . . . . 0.0 111.931 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -164.73 178.14 7.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.922 1.689 . . . . 0.0 110.243 -172.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.81 71.74 1.5 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.248 1.019 . . . . 0.0 111.952 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.64 167.2 2.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.277 1.831 . . . . 0.0 111.721 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.9 t -177.41 153.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.801 2.44 . . . . 0.0 110.208 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.61 -123.69 34.05 Favored Glycine 0 N--CA 1.469 0.883 0 C-N-CA 124.046 0.832 . . . . 0.0 113.318 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -54.42 -48.96 71.04 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.71 1.204 . . . . 0.0 112.584 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -35.64 72.39 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.619 -1.301 . . . . 0.0 112.47 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -43.49 67.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.296 1.038 . . . . 0.0 110.501 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.14 -43.0 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 0.0 111.856 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.82 -46.07 86.75 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.827 1.251 . . . . 0.0 111.184 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.32 78.02 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.008 0.923 . . . . 0.0 111.354 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.2 mt -56.34 -44.54 80.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 175.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.05 -42.25 99.68 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.636 0.653 . . . . 0.0 112.413 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.1 -32.38 71.75 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.393 -0.817 . . . . 0.0 112.654 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.64 -56.48 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.343 1.057 . . . . 0.0 111.571 172.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -74.25 -26.07 60.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.651 1.18 . . . . 0.0 113.957 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.86 -161.6 38.37 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.785 1.659 . . . . 0.0 113.087 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.05 -16.79 20.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.626 1.571 . . . . 0.0 113.662 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -49.25 -46.37 45.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.457 1.903 . . . . 0.0 113.664 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 169.89 46.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.052 0.834 . . . . 0.0 113.571 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 31.6 p80 -144.05 162.51 36.04 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.73 1.612 . . . . 0.0 112.661 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -88.29 -19.52 26.64 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -79.5 104.76 10.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.542 1.064 . . . . 0.0 111.085 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -135.85 100.0 11.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.54 1.136 . . . . 0.0 108.314 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo . . . . . 0 C--N 1.351 0.702 0 C-N-CA 123.91 3.073 . . . . 0.0 112.198 -170.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -28.24 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.165 0.986 . . . . 0.0 111.796 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -78.46 -46.28 20.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.523 0.729 . . . . 0.0 110.791 169.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 20.4 pt20 -159.27 120.35 3.25 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.274 1.03 . . . . 0.0 111.519 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -89.29 117.01 27.93 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 128.212 2.605 . . . . 0.0 114.287 -10.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.66 134.82 34.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.112 1.765 . . . . 0.0 107.398 155.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.429 ' H ' ' HB2' ' B' ' 7' ' ' CYS . 6.7 m 65.83 47.26 2.1 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.302 1.841 . . . . 0.0 108.901 -170.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -154.68 157.95 38.88 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.047 1.739 . . . . 0.0 109.775 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.51 -34.15 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.145 0.978 . . . . 0.0 112.511 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.9 t 51.01 63.73 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.336 1.454 . . . . 0.0 113.108 162.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -70.66 163.59 26.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.26 -42.68 31.26 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.86 1.664 . . . . 0.0 115.485 -173.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -72.02 -23.71 61.44 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.439 -0.788 . . . . 0.0 113.052 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -85.78 -39.49 17.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.389 1.076 . . . . 0.0 110.737 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.06 -35.64 71.64 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.561 1.144 . . . . 0.0 112.798 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.1 -26.06 65.92 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.14 -21.32 66.12 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.11 -0.994 . . . . 0.0 113.602 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.6 9.17 31.47 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.098 1.359 . . . . 0.0 112.132 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.73 149.6 38.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.065 0.946 . . . . 0.0 111.74 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.156 0.982 . . . . 0.0 111.583 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.5 p90 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.61 150.47 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.319 1.847 . . . . 0.0 109.095 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -57.97 112.37 1.48 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.76 0.791 . . . . 0.0 111.165 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -174.11 153.51 2.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.605 1.962 . . . . 0.0 107.186 -161.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -65.75 104.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.312 0.96 . . . . 0.0 112.242 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.7 139.62 30.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.563 1.145 . . . . 0.0 111.104 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 8' ' ' THR . 8.3 t -164.09 147.24 9.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 109.916 166.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.06 31.01 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 118.638 0.653 . . . . 0.0 112.108 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -52.93 -53.3 51.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.537 1.135 . . . . 0.0 112.811 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -47.61 -44.75 26.87 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.236 1.414 . . . . 0.0 113.117 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.6 -43.09 66.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.56 1.144 . . . . 0.0 111.36 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.92 -45.42 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.236 1.014 . . . . 0.0 111.965 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.48 -45.21 94.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.449 1.099 . . . . 0.0 111.083 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.58 74.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.754 0.822 . . . . 0.0 111.978 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.87 -44.22 77.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.815 0.846 . . . . 0.0 112.142 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' B' ' 21' ' ' GLU . 48.2 t80 -62.97 -38.55 91.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.888 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.43 -45.47 69.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.852 0.861 . . . . 0.0 112.185 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.55 -50.23 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.286 1.034 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.3 t -68.45 -20.04 64.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.926 0.89 . . . . 0.0 112.835 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.75 4.04 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.819 1.2 . . . . 0.0 113.112 162.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 31.0 mt-10 76.26 -3.31 2.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.318 2.247 . . . . 0.0 113.299 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -95.91 -13.29 24.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.124 2.17 . . . . 0.0 113.804 -173.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 162.64 27.17 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 125.627 1.584 . . . . 0.0 111.466 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -167.8 169.38 11.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 130.574 3.55 . . . . 0.0 110.738 3.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -76.6 -17.42 59.21 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -83.24 85.2 7.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.116 0.871 . . . . 0.0 111.651 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.1 p -114.44 86.54 12.46 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.291 1.036 . . . . 0.0 109.563 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 C--N 1.353 0.786 0 C-N-CA 124.288 3.326 . . . . 0.0 111.99 -176.509 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.95 -27.29 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.368 -0.832 . . . . 0.0 112.651 -168.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.02 -15.13 63.53 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -94.8 -57.69 2.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.206 1.002 . . . . 0.0 109.795 173.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.79 -24.15 64.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.67 87.98 2.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.94 1.296 . . . . 0.0 110.042 168.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.5 p -117.8 117.78 30.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 129.72 3.208 . . . . 0.0 111.722 4.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -162.33 164.83 27.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.736 2.014 . . . . 0.0 110.48 168.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.77 -25.38 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -163.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m 26.2 75.92 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.526 2.33 . . . . 0.0 115.08 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -77.04 170.03 17.27 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.14 -43.83 31.64 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -73.05 -22.52 60.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -83.02 -44.77 14.84 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.284 1.433 . . . . 0.0 109.66 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.2 -32.08 72.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.456 1.502 . . . . 0.0 113.58 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.73 -26.07 65.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.311 0.644 . . . . 0.0 112.718 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -63.5 -17.19 62.5 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 2' ' ' ILE . 7.1 m-85 -107.73 7.48 28.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.023 1.329 . . . . 0.0 112.611 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.08 139.92 48.68 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.856 1.263 . . . . 0.0 111.299 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 121.549 -0.719 . . . . 0.0 111.489 176.186 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.7 t 74.39 141.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 128.201 2.6 . . . . 0.0 111.653 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.24 109.85 4.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.05 0.94 . . . . 0.0 110.097 173.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -165.37 175.09 9.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.368 1.867 . . . . 0.0 109.7 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.81 128.53 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.261 -0.899 . . . . 0.0 111.433 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 tt -146.51 102.5 3.58 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.116 0.96 . . . . 0.0 110.799 -145.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -121.54 142.85 49.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.34 1.456 . . . . 0.0 112.264 -166.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -115.17 5.35 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 124.531 1.062 . . . . 0.0 114.109 163.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -53.01 -48.01 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.989 0.916 . . . . 0.0 112.097 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -56.94 -38.75 73.35 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.942 -1.099 . . . . 0.0 112.335 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.24 -43.56 81.64 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.889 0.876 . . . . 0.0 111.692 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.42 -46.16 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.431 1.014 . . . . 0.0 111.726 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -61.15 -46.41 90.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.795 1.238 . . . . 0.0 110.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.44 66.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.753 1.221 . . . . 0.0 111.996 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -56.04 -42.1 76.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.24 0.616 . . . . 0.0 111.583 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.4 -42.61 92.42 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.35 -36.14 82.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.73 -53.83 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.157 0.983 . . . . 0.0 111.249 174.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -76.79 -30.04 56.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -171.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.11 -161.4 41.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.047 1.308 . . . . 0.0 112.587 -172.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.4 -11.11 9.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.1 -31.67 71.35 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.15 1.38 . . . . 0.0 112.794 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.58 -171.46 53.22 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.814 1.197 . . . . 0.0 113.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -145.85 155.15 42.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.407 1.083 . . . . 0.0 112.58 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.62 -9.79 59.58 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.73 -39.13 90.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.7 p -19.86 99.04 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.378 2.671 . . . . 0.0 113.864 -167.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo . . . . . 0 C--N 1.353 0.777 0 C-N-CA 123.653 2.902 . . . . 0.0 111.696 -164.779 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -73.18 -20.77 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.564 0.745 . . . . 0.0 112.954 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.73 -17.37 59.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.037 0.935 . . . . 0.0 111.791 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -106.51 -61.46 1.52 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.558 1.543 . . . . 0.0 109.821 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -66.01 -32.19 73.52 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -77.14 -14.18 59.83 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.846 -1.159 . . . . 0.0 112.367 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 m -104.55 -33.25 8.6 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.705 2.002 . . . . 0.0 111.974 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -144.73 160.56 41.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.808 1.643 . . . . 0.0 111.827 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.8 131.62 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.91 -1.119 . . . . 0.0 110.146 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.21 161.06 35.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.099 0.96 . . . . 0.0 112.555 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -147.55 171.27 15.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.268 1.027 . . . . 0.0 112.654 -163.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.22 -44.18 10.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.486 1.914 . . . . 0.0 115.645 -173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.34 -22.84 61.11 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -86.47 -42.31 13.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.315 1.046 . . . . 0.0 109.971 170.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.6 -32.45 72.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.827 1.251 . . . . 0.0 113.414 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.19 -25.66 64.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.96 0.904 . . . . 0.0 112.921 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.96 -16.67 62.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -109.56 8.35 25.03 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.226 1.41 . . . . 0.0 112.462 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.91 142.66 38.27 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.047 1.339 . . . . 0.0 111.718 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 123.844 0.858 . . . . 0.0 112.251 176.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 CA--C 1.55 0.961 0 CA-C-O 121.49 0.662 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 137.54 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.039 0.936 . . . . 0.0 108.653 162.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -51.7 128.04 22.34 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.26 178.26 2.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.487 2.315 . . . . 0.0 109.192 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.13 68.67 5.16 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.202 1.001 . . . . 0.0 111.923 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -43.52 117.46 1.14 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.434 2.294 . . . . 0.0 112.779 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -135.14 -142.58 0.19 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.978 0.911 . . . . 0.0 110.5 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.38 130.41 9.84 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-N 119.809 1.186 . . . . 0.0 111.181 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -88.34 -7.28 56.94 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.029 2.932 . . . . 0.0 113.926 -3.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -41.94 -40.91 2.32 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.28 2.232 . . . . 0.0 114.974 -170.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.29 -38.26 76.65 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.75 1.22 . . . . 0.0 113.195 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.62 -39.89 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.954 0.797 . . . . 0.0 110.018 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.57 -48.26 75.66 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.86 1.264 . . . . 0.0 110.648 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.49 70.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.81 1.244 . . . . 0.0 112.06 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.01 -39.16 84.83 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.656 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.05 -43.48 98.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.14 0.882 . . . . 0.0 112.474 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -70.13 -34.02 72.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.955 0.798 . . . . 0.0 112.616 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.69 -54.68 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.46 1.104 . . . . 0.0 111.201 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -79.92 -35.45 37.81 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -168.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -169.26 27.86 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.646 1.593 . . . . 0.0 113.833 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.67 -14.41 51.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.52 1.528 . . . . 0.0 114.598 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -66.65 -13.35 61.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.123 1.369 . . . . 0.0 114.239 171.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.11 -167.8 54.47 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.812 1.196 . . . . 0.0 113.922 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -151.77 153.49 34.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.001 1.321 . . . . 0.0 112.285 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -81.91 -10.81 59.17 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.32 -34.29 77.79 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 p -23.68 102.82 0.1 OUTLIER Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 128.049 2.54 . . . . 0.0 113.551 -167.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 C--N 1.353 0.787 0 C-N-CA 123.508 2.805 . . . . 0.0 112.369 -161.164 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.7 t -67.31 -36.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.597 0.759 . . . . 0.0 109.958 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.61 -3.97 7.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.908 1.683 . . . . 0.0 113.563 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -119.27 -60.11 1.77 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.871 1.268 . . . . 0.0 110.537 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 m -74.5 -29.26 61.35 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.06 -22.32 42.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.489 -0.757 . . . . 0.0 112.294 171.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -89.95 -38.13 13.88 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.356 1.863 . . . . 0.0 112.423 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -148.5 -169.73 3.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.25 126.29 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.62 1.168 . . . . 0.0 111.394 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -103.52 144.28 31.61 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.413 1.885 . . . . 0.0 110.914 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -153.26 152.1 30.79 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.9 0.88 . . . . 0.0 112.015 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.94 -43.89 60.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -73.54 -22.34 60.12 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.78 -45.08 13.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.513 1.125 . . . . 0.0 109.784 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -55.75 -35.82 66.61 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.994 1.718 . . . . 0.0 113.198 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.18 -26.64 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -64.39 -16.98 63.31 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -109.19 9.84 25.95 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.32 1.448 . . . . 0.0 111.727 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.19 155.35 36.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.735 0.814 . . . . 0.0 110.911 166.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--O 1.24 0.605 0 O-C-N 121.34 -0.85 . . . . 0.0 112.176 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t 65.3 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.935 2.094 . . . . 0.0 110.574 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.23 110.82 5.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.125 1.77 . . . . 0.0 109.174 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -167.24 169.49 12.5 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.85 1.26 . . . . 0.0 111.323 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -66.08 133.62 51.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 110.635 169.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -151.75 120.49 6.55 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.474 -0.766 . . . . 0.0 110.755 -160.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -155.06 146.31 22.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.21 -0.932 . . . . 0.0 113.049 -166.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -127.09 29.74 Favored Glycine 0 N--CA 1.471 1.017 0 C-N-CA 124.181 0.895 . . . . 0.0 112.294 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.27 -48.29 68.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.096 0.958 . . . . 0.0 112.177 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -55.22 -36.69 66.25 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.959 -1.088 . . . . 0.0 112.969 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.46 -37.51 60.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.03 0.932 . . . . 0.0 112.021 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.12 -45.92 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.821 0.848 . . . . 0.0 111.297 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.98 -44.06 97.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.003 1.321 . . . . 0.0 111.189 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -48.87 70.84 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.008 0.923 . . . . 0.0 112.453 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.28 -41.32 84.11 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.354 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.17 -41.41 96.73 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.783 0.72 . . . . 0.0 112.253 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.88 -42.96 89.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.731 0.812 . . . . 0.0 112.136 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.16 -50.44 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.648 1.179 . . . . 0.0 111.686 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -78.34 -33.72 48.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.948 1.299 . . . . 0.0 114.051 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.52 -171.04 27.43 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.201 1.381 . . . . 0.0 112.648 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -83.09 35.3 0.48 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.518 1.527 . . . . 0.0 113.392 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -64.89 -53.14 51.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.735 1.214 . . . . 0.0 114.22 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.53 168.43 21.73 Favored Glycine 0 N--CA 1.475 1.273 1 C-N-CA 131.249 4.261 . . . . 0.0 112.368 -9.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -59.77 160.78 7.04 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -86.7 -9.37 56.1 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.51 -39.32 93.56 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -20.93 100.13 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.304 0 C-N-CA 128.414 2.685 . . . . 0.0 113.727 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.354 0.863 0 C-N-CA 123.453 2.769 . . . . 0.0 113.795 -162.184 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.1 -20.38 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 118.943 0.792 . . . . 0.0 112.522 -168.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.12 -21.55 66.81 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.806 1.242 . . . . 0.0 112.595 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.1 -57.87 2.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.751 0.705 . . . . 0.0 109.259 159.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.7 m -77.92 47.6 0.65 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.049 1.34 . . . . 0.0 114.568 -170.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -155.8 -34.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 158.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -73.23 -36.87 66.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.423 2.289 . . . . 0.0 112.745 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -151.26 179.63 8.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.08 1.352 . . . . 0.0 112.246 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.81 134.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.788 1.235 . . . . 0.0 112.045 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.3 m -119.97 156.46 30.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.815 1.246 . . . . 0.0 111.187 160.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -146.78 155.49 42.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.78 1.232 . . . . 0.0 110.119 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.39 -43.05 61.81 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -73.55 -23.81 60.03 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.39 -44.34 16.23 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.852 1.261 . . . . 0.0 109.629 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.51 -29.75 70.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.271 1.429 . . . . 0.0 113.175 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 28.6 tt0 -58.71 -26.98 64.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -63.94 -16.25 61.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.48 5.84 29.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 112.818 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 83.9 m -72.09 149.66 44.6 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.448 -0.782 . . . . 0.0 112.166 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.566 0.746 . . . . 0.0 111.782 176.5 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.24 151.24 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.179 1.392 . . . . 0.0 109.508 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -46.74 121.99 3.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.439 1.496 . . . . 0.0 111.833 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.43 172.66 16.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.981 1.312 . . . . 0.0 110.737 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.62 -34.49 69.87 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt 58.14 -167.6 0.14 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.076 1.75 . . . . 0.0 111.033 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t 179.31 -168.16 0.09 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 129.384 3.074 . . . . 0.0 109.052 165.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.84 134.95 13.9 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.827 -1.171 . . . . 0.0 110.663 165.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m -87.52 -9.65 53.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.84 2.856 . . . . 0.0 114.342 -0.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -42.32 -38.54 1.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.382 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.82 -32.87 71.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.389 1.876 . . . . 0.0 113.332 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.95 -40.42 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.195 0.998 . . . . 0.0 110.585 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.96 -43.91 74.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.148 . . . . 0.0 110.671 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.46 64.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.402 1.081 . . . . 0.0 111.087 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 32.3 mt -55.02 -48.09 73.84 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.802 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -57.72 -41.51 81.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.144 1.338 . . . . 0.0 113.046 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.82 -31.01 68.67 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.353 -0.842 . . . . 0.0 112.607 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.85 -55.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.665 1.186 . . . . 0.0 111.203 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -76.17 -23.94 54.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.625 1.97 . . . . 0.0 114.782 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -163.83 54.66 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.532 1.063 . . . . 0.0 112.618 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -7.96 15.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -63.04 -31.93 73.18 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.098 0.959 . . . . 0.0 111.953 167.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.34 -166.29 53.53 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.214 1.387 . . . . 0.0 114.295 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 19.5 p80 -149.95 159.66 44.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.41 1.884 . . . . 0.0 111.911 -174.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -89.2 -8.35 53.75 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.54 -38.97 93.14 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -15.83 95.48 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.289 0 C-N-CA 129.0 2.92 . . . . 0.0 113.742 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.353 0.772 0 C-N-CA 123.746 2.964 . . . . 0.0 112.32 -163.458 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.4 -0.59 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.635 -1.291 . . . . 0.0 113.196 171.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -118.94 -67.07 1.01 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.062 1.745 . . . . 0.0 109.708 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.0 125.22 24.23 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.405 -0.81 . . . . 0.0 109.556 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.3 m 75.58 -15.48 0.68 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.998 2.119 . . . . 0.0 114.062 -172.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -63.62 1.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.796 1.238 . . . . 0.0 110.862 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -99.42 15.86 25.02 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.352 1.861 . . . . 0.0 112.66 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -148.54 168.24 23.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.802 1.641 . . . . 0.0 110.234 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -85.78 134.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.363 1.065 . . . . 0.0 111.608 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.2 m -137.93 156.16 48.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.821 1.248 . . . . 0.0 113.118 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 m -115.45 178.67 4.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.236 1.814 . . . . 0.0 111.96 169.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -50.42 -42.72 54.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.53 1.532 . . . . 0.0 115.049 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -72.61 -22.89 60.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.79 -45.15 15.99 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.755 1.222 . . . . 0.0 109.499 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.5 -32.26 72.28 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 113.136 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.39 -25.65 64.46 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -63.15 -16.39 59.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -106.75 6.68 29.85 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.848 1.259 . . . . 0.0 112.318 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -75.71 167.16 22.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.614 0.766 . . . . 0.0 112.44 172.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.301 1.041 . . . . 0.0 112.66 179.664 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.89 157.6 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.693 1.597 . . . . 0.0 111.313 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -57.11 130.17 44.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.999 1.32 . . . . 0.0 113.368 -174.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -177.0 179.48 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.087 2.555 . . . . 0.0 109.018 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -76.03 61.56 1.54 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.55 1.14 . . . . 0.0 111.302 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.22 103.26 3.88 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.412 2.285 . . . . 0.0 109.554 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -136.27 -107.7 0.2 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -158.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.31 111.78 4.32 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.179 1.371 . . . . 0.0 112.716 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -111.59 95.42 5.49 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.006 2.922 . . . . 0.0 109.737 -11.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -138.2 -37.76 0.56 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.778 2.031 . . . . 0.0 111.628 -171.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.5 -38.12 88.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.537 1.135 . . . . 0.0 110.887 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.04 -40.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.002 1.321 . . . . 0.0 111.59 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.55 -40.62 69.9 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.408 1.083 . . . . 0.0 111.163 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.24 76.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.499 1.12 . . . . 0.0 111.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.7 mt -55.19 -50.29 69.72 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.694 0.798 . . . . 0.0 110.617 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -55.37 -39.51 70.18 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.432 1.014 . . . . 0.0 113.159 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.47 -40.28 77.2 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.689 0.795 . . . . 0.0 112.81 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.29 -56.61 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.123 1.369 . . . . 0.0 111.389 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.69 -32.0 72.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.622 1.969 . . . . 0.0 112.844 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.89 -47.3 3.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.671 1.605 . . . . 0.0 114.701 167.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -136.62 157.4 46.86 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.124 1.769 . . . . 0.0 110.272 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 65.92 165.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.718 2.407 . . . . 0.0 113.412 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.82 112.01 3.88 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 27.4 p80 -61.13 158.88 12.9 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.979 0.911 . . . . 0.0 112.434 171.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -72.54 -17.12 61.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.06 80.93 9.01 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.947 0.88 . . . . 0.0 112.086 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -113.68 87.03 11.4 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 124.968 1.307 . . . . 0.0 109.014 171.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 C--N 1.353 0.791 0 C-N-CA 123.92 3.08 . . . . 0.0 112.159 -173.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.85 -19.86 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.141 1.376 . . . . 0.0 112.777 -175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -82.95 -6.61 59.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.31 1.444 . . . . 0.0 113.192 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.85 -41.46 0.4 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -174.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -78.65 -15.36 58.59 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.749 -1.219 . . . . 0.0 113.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.2 m -80.98 -23.16 38.93 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.133 0.973 . . . . 0.0 113.545 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.4 p -111.34 -20.24 12.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.265 1.426 . . . . 0.0 113.677 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -139.92 -179.83 6.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.989 1.316 . . . . 0.0 112.451 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -62.14 133.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.68 1.192 . . . . 0.0 110.173 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 m -125.93 159.14 33.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.245 1.021 . . . . 0.0 111.751 162.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 m -167.65 168.84 12.34 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.941 2.096 . . . . 0.0 108.872 -165.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.28 -49.46 3.68 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.156 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -69.47 -22.35 63.63 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -86.36 -44.9 11.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.791 1.236 . . . . 0.0 109.763 170.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.55 -30.5 69.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.427 1.491 . . . . 0.0 113.642 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.98 -27.18 66.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.49 1.116 . . . . 0.0 112.763 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -62.91 -18.34 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -107.44 4.7 26.53 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.055 1.342 . . . . 0.0 112.476 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.24 138.93 47.83 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.472 0.67 0 O-C-N 121.496 -0.753 . . . . 0.0 111.72 178.184 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t 79.75 148.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.503 2.721 . . . . 0.0 112.2 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.41 91.62 0.41 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.418 1.487 . . . . 0.0 109.952 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -155.53 178.18 10.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.228 1.011 . . . . 0.0 112.004 -172.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -71.16 125.52 27.15 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.796 0.838 . . . . 0.0 110.316 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -97.39 -164.31 1.13 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.937 1.295 . . . . 0.0 109.336 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 156.47 158.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 131.672 3.989 . . . . 0.0 111.002 163.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.54 -121.71 26.91 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.036 0.826 . . . . 0.0 113.13 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -71.33 -32.97 69.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.457 1.103 . . . . 0.0 113.224 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -55.43 -35.27 65.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.743 1.217 . . . . 0.0 112.027 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.51 -41.84 90.86 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.561 1.144 . . . . 0.0 111.998 173.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.49 -43.48 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.403 0.681 . . . . 0.0 110.246 -171.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -37.61 75.66 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.305 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -53.0 62.31 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.307 0.958 . . . . 0.0 111.191 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 38.5 mt -55.12 -43.85 74.49 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 111.976 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -64.16 -43.4 95.28 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.599 0.636 . . . . 0.0 112.67 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.87 -37.04 85.93 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.466 1.03 . . . . 0.0 112.317 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.27 -53.98 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 0.0 111.531 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 t -77.6 -29.48 51.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -171.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.54 -157.3 43.96 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.686 1.612 . . . . 0.0 112.66 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.88 -8.68 16.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.101 1.36 . . . . 0.0 114.364 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -30.28 69.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.953 1.301 . . . . 0.0 112.479 171.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.37 -176.25 45.04 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.729 1.157 . . . . 0.0 113.301 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 25.9 p80 -147.64 157.1 43.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.283 1.033 . . . . 0.0 112.376 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -82.02 -16.69 49.38 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -80.54 91.92 5.85 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.362 -0.836 . . . . 0.0 111.026 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -118.71 89.5 37.79 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.47 1.108 . . . . 0.0 109.297 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.352 0.757 0 C-N-CA 124.723 3.615 . . . . 0.0 112.01 -173.31 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.74 -29.96 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.916 0.78 . . . . 0.0 112.596 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.15 -16.4 63.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.15 -55.3 2.81 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.585 1.154 . . . . 0.0 109.774 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.29 -30.36 70.2 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.55 -9.74 58.84 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.813 -1.18 . . . . 0.0 112.947 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 m -113.69 -33.6 5.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.725 2.01 . . . . 0.0 112.335 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -143.52 173.08 11.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.185 1.794 . . . . 0.0 112.021 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.46 123.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.946 -1.096 . . . . 0.0 111.663 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 m -108.16 149.33 28.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.311 1.044 . . . . 0.0 111.542 163.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -153.75 159.72 42.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.478 1.511 . . . . 0.0 110.102 -161.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.28 -44.31 33.56 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -73.24 -23.11 60.3 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -82.94 -47.18 12.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.688 1.195 . . . . 0.0 109.404 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.5 -32.31 71.32 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.922 1.689 . . . . 0.0 113.353 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.69 -27.0 66.03 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.529 0.732 . . . . 0.0 112.936 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -64.27 -17.93 64.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.26 8.32 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.081 1.352 . . . . 0.0 112.455 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.85 136.78 47.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.767 1.227 . . . . 0.0 111.424 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.499 -0.751 . . . . 0.0 111.864 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.53 155.57 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.857 1.663 . . . . 0.0 110.827 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -53.55 119.72 5.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.781 1.632 . . . . 0.0 112.092 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.54 -178.37 4.39 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.216 1.407 . . . . 0.0 111.288 -172.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -79.01 57.0 2.08 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.452 1.501 . . . . 0.0 112.237 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -55.76 132.9 50.45 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.242 1.817 . . . . 0.0 112.252 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.6 t -155.51 133.66 11.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.36 -0.837 . . . . 0.0 112.134 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.69 -124.42 26.58 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 123.666 0.65 . . . . 0.0 112.206 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -56.0 -40.64 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.791 1.236 . . . . 0.0 112.991 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -56.45 -42.91 78.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.452 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -43.87 77.52 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.72 . . . . 0.0 110.58 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.82 -49.29 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.778 0.831 . . . . 0.0 112.077 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.68 -35.04 76.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.556 0.616 . . . . 0.0 111.882 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.68 -50.53 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.653 0.781 . . . . 0.0 111.782 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -55.16 -42.66 73.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.09 0.556 . . . . 0.0 111.492 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -65.4 -42.27 92.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.73 -35.46 80.16 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.797 1.181 . . . . 0.0 112.42 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.19 -54.85 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.921 0.888 . . . . 0.0 111.216 173.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.05 -27.1 48.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -157.93 43.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.267 1.413 . . . . 0.0 112.756 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.14 -10.74 6.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -56.9 -33.62 67.08 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.493 1.517 . . . . 0.0 113.112 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 -170.33 50.23 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.482 1.039 . . . . 0.0 113.085 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -149.99 154.55 38.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.279 1.032 . . . . 0.0 112.732 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -82.23 -9.97 59.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 114.049 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.29 -37.79 88.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -20.27 100.47 0.06 OUTLIER Pre-proline 0 N--CA 1.486 1.358 0 C-N-CA 128.345 2.658 . . . . 0.0 113.824 -167.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--N 1.353 0.784 0 C-N-CA 123.714 2.942 . . . . 0.0 112.526 -163.301 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.2 -30.47 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.52 1.054 . . . . 0.0 111.958 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.68 -34.59 73.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.501 1.121 . . . . 0.0 111.564 171.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -85.13 -57.0 3.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.573 1.149 . . . . 0.0 111.142 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -68.55 -27.57 66.2 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -77.44 -10.0 59.21 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.025 -1.047 . . . . 0.0 112.546 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -114.3 -32.28 6.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.655 1.982 . . . . 0.0 112.422 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -142.95 176.31 9.17 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.864 1.665 . . . . 0.0 112.373 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.05 133.21 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 120.94 -1.1 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -118.82 106.72 12.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.086 0.954 . . . . 0.0 110.733 164.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -94.87 173.23 7.7 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.492 1.517 . . . . 0.0 112.443 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.85 -43.48 59.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -73.09 -22.19 60.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -81.46 -48.49 11.8 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.801 1.241 . . . . 0.0 109.008 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.79 -33.21 73.7 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.484 1.514 . . . . 0.0 113.549 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.23 -26.39 66.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.375 0.67 . . . . 0.0 112.699 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -62.76 -17.65 61.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CG ' HD12 ' A' ' 2' ' ' ILE . 6.6 m-85 -107.87 5.97 26.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.668 1.187 . . . . 0.0 112.521 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -74.74 135.95 41.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.737 1.215 . . . . 0.0 110.905 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 N--CA 1.472 0.634 0 O-C-N 121.464 -0.773 . . . . 0.0 111.595 -179.344 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 p90 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.0 t 80.93 -33.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 128.343 2.657 . . . . 0.0 115.003 158.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m120 105.79 104.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 130.476 3.51 . . . . 0.0 107.223 -170.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -162.34 171.08 17.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.298 1.039 . . . . 0.0 109.462 -157.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -66.0 135.78 55.14 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.812 -0.555 . . . . 0.0 109.848 159.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -139.04 131.39 28.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 110.161 -173.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.8 125.42 7.62 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.833 -0.542 . . . . 0.0 110.952 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.04 -121.04 17.77 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 123.814 0.721 . . . . 0.0 111.939 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -53.02 -50.72 63.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.376 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -50.15 -42.25 50.51 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.852 -1.155 . . . . 0.0 113.314 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.06 -43.58 70.89 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.099 0.96 . . . . 0.0 110.795 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.17 -46.27 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.876 0.87 . . . . 0.0 112.029 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.36 -46.6 89.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.906 1.283 . . . . 0.0 110.8 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.48 78.54 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.674 0.79 . . . . 0.0 112.184 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -56.68 -44.31 81.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.924 0.489 . . . . 0.0 111.603 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.34 -45.01 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.432 0.56 . . . . 0.0 112.394 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.46 -36.22 83.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.414 -0.804 . . . . 0.0 112.517 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.34 -52.87 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.346 1.058 . . . . 0.0 111.351 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.15 -17.95 61.92 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -129.88 9.5 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.467 1.508 . . . . 0.0 112.308 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.67 -2.02 24.37 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.254 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -101.85 152.6 20.71 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.245 1.818 . . . . 0.0 111.495 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.71 -177.9 49.32 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 124.924 1.25 . . . . 0.0 113.654 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -137.89 150.53 47.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.274 1.43 . . . . 0.0 111.824 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -82.82 -8.95 59.54 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -65.08 -35.59 81.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.7 p -20.17 100.45 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 128.333 2.653 . . . . 0.0 113.965 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.354 0.835 0 C-N-CA 123.731 2.954 . . . . 0.0 112.089 -163.219 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.57 -31.61 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.64 0.776 . . . . 0.0 110.952 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.11 -3.42 7.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.018 1.727 . . . . 0.0 113.564 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -125.01 -51.3 1.68 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.373 1.469 . . . . 0.0 110.988 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -70.88 -33.93 71.09 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.83 -19.73 22.23 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.174 0.897 . . . . 0.0 112.78 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.9 p -90.95 -27.88 18.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.906 1.682 . . . . 0.0 112.918 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -148.59 -169.01 3.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.404 1.482 . . . . 0.0 111.723 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.49 139.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 120.522 -1.361 . . . . 0.0 110.54 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 p -139.45 161.95 36.22 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 112.173 162.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -148.92 163.57 37.08 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.45 1.1 . . . . 0.0 111.976 -162.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.52 -44.36 17.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -172.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -71.91 -23.66 61.51 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.68 -41.07 14.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.257 1.023 . . . . 0.0 110.273 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -60.58 -32.06 71.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.691 1.197 . . . . 0.0 113.078 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 27.1 tt0 -59.27 -26.46 64.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -64.35 -16.85 63.02 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -104.31 4.35 33.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.543 1.137 . . . . 0.0 112.668 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.0 m -71.22 148.17 47.52 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.398 -0.814 . . . . 0.0 112.183 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 123.357 0.663 . . . . 0.0 111.55 176.272 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.42 144.44 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.418 1.487 . . . . 0.0 110.088 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -54.56 125.03 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 112.658 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -168.76 -176.24 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.478 1.911 . . . . 0.0 109.763 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -77.73 121.12 23.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.582 0.753 . . . . 0.0 110.76 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.51 117.82 32.02 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.545 1.938 . . . . 0.0 110.672 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 140.06 51.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.874 1.27 . . . . 0.0 110.172 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -119.19 13.46 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.054 0.835 . . . . 0.0 113.523 170.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -53.04 -50.52 64.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.379 1.072 . . . . 0.0 112.249 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.91 -42.22 65.16 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.76 -1.213 . . . . 0.0 112.219 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.51 -41.44 76.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.89 0.876 . . . . 0.0 111.718 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.9 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.897 0.879 . . . . 0.0 112.029 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.72 -45.98 84.23 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.0 1.32 . . . . 0.0 111.016 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.82 79.29 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.87 0.868 . . . . 0.0 111.456 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.8 mt -54.88 -49.82 70.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.745 174.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -56.58 -40.99 76.18 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.92 1.236 . . . . 0.0 113.095 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.7 -32.29 70.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.271 -0.893 . . . . 0.0 112.838 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.26 -55.37 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.757 1.223 . . . . 0.0 111.175 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -74.3 -29.57 61.69 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.382 1.873 . . . . 0.0 114.174 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.95 -160.74 48.71 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.796 1.189 . . . . 0.0 112.501 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.2 -12.16 11.84 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -62.16 -34.73 76.96 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.875 1.27 . . . . 0.0 112.17 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.07 -163.65 54.23 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.901 1.239 . . . . 0.0 113.558 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 21.1 p80 -153.63 160.69 42.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.319 1.848 . . . . 0.0 111.685 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -87.33 -11.47 49.36 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -79.2 84.52 5.15 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.18 0.9 . . . . 0.0 111.059 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -114.73 85.27 11.25 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.096 1.358 . . . . 0.0 108.886 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo . . . . . 0 C--N 1.354 0.836 0 C-N-CA 123.73 2.953 . . . . 0.0 111.327 -172.036 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.91 -18.02 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.184 0.994 . . . . 0.0 112.669 -171.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.24 -21.7 62.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.989 1.316 . . . . 0.0 112.717 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.52 -26.61 2.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -98.25 17.4 18.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.928 1.24 . . . . 0.0 113.864 173.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -155.38 116.27 3.9 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.13 0.877 . . . . 0.0 112.773 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 p -75.39 127.0 32.15 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.811 2.844 . . . . 0.0 109.931 -15.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -168.55 168.7 10.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.384 1.474 . . . . 0.0 109.739 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -76.56 -42.99 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.52 -61.28 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.443 2.697 . . . . 0.0 114.404 -163.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m 78.96 166.95 0.2 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.109 2.563 . . . . 0.0 113.19 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.84 -45.1 29.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 115.235 -171.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -71.27 -22.91 61.9 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -85.16 -48.29 9.3 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.888 0.875 . . . . 0.0 109.607 170.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.76 -30.73 71.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.767 1.227 . . . . 0.0 113.103 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.95 -27.98 69.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.983 0.913 . . . . 0.0 112.823 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.86 -19.28 63.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.97 3.01 35.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.734 1.214 . . . . 0.0 112.385 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.43 134.39 48.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.016 1.326 . . . . 0.0 111.113 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.472 0.641 0 O-C-N 121.442 -0.786 . . . . 0.0 111.698 -178.29 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.0 p90 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.37 141.39 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.571 1.148 . . . . 0.0 110.009 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.36 40.31 0.1 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.999 1.72 . . . . 0.0 113.688 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -88.48 170.58 10.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.25 1.82 . . . . 0.0 110.881 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -65.81 130.77 44.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.839 -0.538 . . . . 0.0 110.351 161.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 163.01 20.78 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.179 1.392 . . . . 0.0 112.425 -174.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -168.36 159.46 10.58 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.978 2.511 . . . . 0.0 109.534 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.93 -124.0 19.06 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.39 0.995 . . . . 0.0 113.779 167.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -53.17 -48.55 67.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.269 1.028 . . . . 0.0 112.58 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -58.92 -39.25 80.99 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.595 -1.316 . . . . 0.0 112.706 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -66.54 -43.17 85.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.233 0.613 . . . . 0.0 110.861 175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.0 t -60.29 -44.11 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.132 0.973 . . . . 0.0 111.616 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.86 -47.34 85.44 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.744 1.217 . . . . 0.0 110.927 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.9 74.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.5 mt -55.49 -46.09 76.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.028 0.931 . . . . 0.0 111.73 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -62.48 -43.17 99.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.225 0.61 . . . . 0.0 112.399 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.32 -33.5 74.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.728 0.811 . . . . 0.0 112.83 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.28 -53.43 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.879 0.871 . . . . 0.0 111.18 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.58 -39.11 81.11 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -172.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 -134.3 13.36 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.809 1.195 . . . . 0.0 111.399 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.48 156.18 27.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.031 0.933 . . . . 0.0 112.279 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 78.11 -17.04 0.6 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.581 2.752 . . . . 0.0 113.75 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.23 -160.72 53.42 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.025 1.298 . . . . 0.0 114.035 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -133.71 161.78 33.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.511 1.524 . . . . 0.0 112.218 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -83.53 -12.5 56.12 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -80.38 85.97 5.79 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.262 -0.899 . . . . 0.0 111.409 173.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.8 p -115.25 85.87 13.47 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 124.328 1.051 . . . . 0.0 109.092 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.543 0.971 0 C-N-CA 124.065 3.177 . . . . 0.0 111.765 -173.407 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.451 HG23 ' H ' ' A' ' 3' ' ' VAL 0.336 6.6 tp . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.451 ' H ' HG23 ' A' ' 2' ' ' ILE . 25.9 t -61.72 -30.81 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.874 1.27 . . . . 0.0 111.439 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.63 -17.14 62.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.68 1.192 . . . . 0.0 112.692 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -103.44 -57.18 2.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.659 1.184 . . . . 0.0 110.032 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.43 -24.57 67.22 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -81.56 -17.4 48.5 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -116.82 -20.49 9.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.567 1.547 . . . . 0.0 113.459 -176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 t -143.73 163.68 32.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.24 1.816 . . . . 0.0 110.74 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -82.03 127.18 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 O-C-N 120.754 -1.216 . . . . 0.0 112.707 -165.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.66 146.49 26.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.125 1.37 . . . . 0.0 111.233 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -148.8 163.12 38.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.226 1.81 . . . . 0.0 109.238 -168.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.82 -48.29 4.31 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -173.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -71.12 -24.43 62.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.27 -45.63 13.59 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.628 1.171 . . . . 0.0 109.594 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.85 -33.22 72.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.102 1.761 . . . . 0.0 112.93 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -58.53 -26.5 63.58 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.742 0.817 . . . . 0.0 113.046 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -65.4 -17.73 64.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.945 -1.097 . . . . 0.0 113.863 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -107.51 5.86 27.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.946 1.298 . . . . 0.0 112.546 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.35 141.14 48.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.524 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 123.266 0.626 . . . . 0.0 111.59 173.46 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.36 156.68 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.818 1.647 . . . . 0.0 110.884 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.2 120.52 8.24 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.544 1.537 . . . . 0.0 111.839 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.68 176.31 7.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.796 1.639 . . . . 0.0 110.348 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -77.08 65.07 2.64 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.757 0.823 . . . . 0.0 111.38 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -51.07 122.86 8.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.421 1.888 . . . . 0.0 112.745 -172.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -169.16 162.87 10.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.635 0.774 . . . . 0.0 112.346 -169.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.37 -48.37 2.15 Favored Glycine 0 N--CA 1.477 1.371 0 C-N-CA 126.351 1.929 . . . . 0.0 114.261 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -159.06 -38.93 0.06 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.393 1.877 . . . . 0.0 110.982 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -31.02 32.19 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -36.99 79.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.555 1.142 . . . . 0.0 112.008 174.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.67 -44.21 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 0.0 110.553 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.74 -46.55 89.15 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.229 1.012 . . . . 0.0 110.653 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.53 70.0 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.462 1.105 . . . . 0.0 112.178 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.63 -40.66 84.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.163 0.438 . . . . 0.0 111.942 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.22 -43.57 97.73 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.54 0.609 . . . . 0.0 112.343 173.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.24 -32.97 71.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.556 -0.715 . . . . 0.0 112.836 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.83 -54.83 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.102 0.961 . . . . 0.0 111.115 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.6 -29.31 56.48 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 -164.6 33.22 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.353 1.454 . . . . 0.0 113.28 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.94 -16.89 47.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -77.36 -8.79 58.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.59 -163.78 54.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.776 1.179 . . . . 0.0 114.219 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -149.21 159.5 44.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.113 1.365 . . . . 0.0 112.271 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -82.8 -11.4 58.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.17 -37.03 84.65 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -20.73 99.64 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.399 0 C-N-CA 128.348 2.659 . . . . 0.0 113.783 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 C--N 1.351 0.708 0 C-N-CA 123.732 2.955 . . . . 0.0 112.312 -164.152 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -58.38 -27.03 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.033 1.333 . . . . 0.0 112.974 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.08 -13.92 60.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.056 0.942 . . . . 0.0 112.531 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.18 -65.15 0.98 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.5 1.12 . . . . 0.0 110.255 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -81.48 -7.11 59.54 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -162.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.81 91.63 5.45 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.185 0.994 . . . . 0.0 110.933 166.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -110.92 117.68 34.03 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 130.425 3.49 . . . . 0.0 109.663 -8.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -167.33 160.12 13.18 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.446 1.899 . . . . 0.0 109.831 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -65.97 120.69 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.067 -1.02 . . . . 0.0 111.555 -173.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.49 138.0 38.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.763 1.225 . . . . 0.0 109.175 160.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -140.25 151.37 45.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.296 1.038 . . . . 0.0 111.723 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -45.11 37.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.14 -23.48 61.3 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.2 -45.13 12.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.394 1.078 . . . . 0.0 110.027 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.03 -29.72 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.124 1.77 . . . . 0.0 113.204 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.06 -26.67 68.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -65.86 -17.73 64.85 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.985 -1.072 . . . . 0.0 113.738 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.02 3.74 33.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.029 1.331 . . . . 0.0 112.046 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.48 136.62 54.9 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.998 1.319 . . . . 0.0 110.964 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.5 -0.75 . . . . 0.0 111.716 178.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m 59.5 154.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 130.273 3.429 . . . . 0.0 116.087 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -68.67 110.84 4.46 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.513 1.125 . . . . 0.0 110.038 175.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -161.79 -177.48 5.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.824 1.25 . . . . 0.0 111.39 -174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -76.08 51.48 0.67 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.028 1.731 . . . . 0.0 113.384 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.24 128.1 34.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.125 1.77 . . . . 0.0 110.897 -173.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -144.22 133.46 23.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.052 0.941 . . . . 0.0 111.277 -169.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.8 -119.78 17.63 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.773 0.701 . . . . 0.0 112.432 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p -54.93 -49.37 71.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.552 1.141 . . . . 0.0 112.333 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -52.88 -38.27 61.46 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.045 -1.034 . . . . 0.0 112.866 174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 -46.55 67.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.458 1.103 . . . . 0.0 110.731 178.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.75 -43.23 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.369 1.068 . . . . 0.0 111.933 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -62.84 -46.64 86.99 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.828 1.251 . . . . 0.0 111.098 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -50.48 73.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.078 0.951 . . . . 0.0 111.78 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.419 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.3 mt -54.71 -44.38 73.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.548 0.739 . . . . 0.0 111.782 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.55 -41.74 92.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.44 -37.11 85.93 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.596 1.089 . . . . 0.0 112.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.21 -54.86 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.05 0.94 . . . . 0.0 111.137 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 t -74.47 -30.49 61.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.41 -155.27 41.53 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.677 1.608 . . . . 0.0 112.667 -173.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.33 -18.98 31.45 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.714 1.606 . . . . 0.0 114.254 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.54 70.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.055 1.342 . . . . 0.0 112.799 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.8 -174.9 42.17 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.586 1.088 . . . . 0.0 113.444 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.8 p80 -143.56 159.19 42.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.421 1.088 . . . . 0.0 112.329 -176.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -80.89 -17.91 49.03 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.37 88.79 3.76 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.218 0.917 . . . . 0.0 111.337 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -118.93 87.78 34.53 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.766 1.226 . . . . 0.0 109.285 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 C--N 1.352 0.763 0 C-N-CA 123.838 3.025 . . . . 0.0 112.11 -174.696 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.53 -25.86 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.451 0.7 . . . . 0.0 112.757 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -82.96 -2.56 55.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.48 1.112 . . . . 0.0 112.671 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.21 -46.86 2.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.232 1.413 . . . . 0.0 111.313 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.3 m -92.29 -27.39 17.63 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.68 -19.89 54.57 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.025 -1.047 . . . . 0.0 112.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.6 p -102.9 -31.73 10.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.114 2.165 . . . . 0.0 113.212 -174.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -140.35 179.05 6.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.325 1.45 . . . . 0.0 112.198 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.45 126.38 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.845 -1.16 . . . . 0.0 111.106 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.78 138.78 35.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.049 1.74 . . . . 0.0 110.947 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -152.65 164.53 37.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.709 1.204 . . . . 0.0 111.275 -172.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.2 -43.96 42.75 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -73.88 -20.83 60.29 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -84.83 -46.88 10.92 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.612 1.165 . . . . 0.0 109.149 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.45 -36.11 75.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.586 1.554 . . . . 0.0 113.709 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.72 -27.24 66.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.452 0.701 . . . . 0.0 112.848 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -61.49 -19.11 61.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -106.71 6.9 30.13 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.938 1.295 . . . . 0.0 112.453 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -70.97 143.9 50.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.94 0.896 . . . . 0.0 111.646 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.171 0.988 . . . . 0.0 112.112 179.421 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.1 p90 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.98 146.8 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.22 1.808 . . . . 0.0 108.973 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.5 127.49 13.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.93 1.292 . . . . 0.0 113.435 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -172.21 174.76 3.88 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.611 1.964 . . . . 0.0 109.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -77.86 58.22 1.85 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.768 1.227 . . . . 0.0 112.559 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.26 132.59 39.14 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.15 152.19 22.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.337 0.655 . . . . 0.0 112.075 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 -130.04 29.64 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.808 0.718 . . . . 0.0 111.68 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -64.53 -32.41 74.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.457 0.703 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -33.65 65.72 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.508 -1.37 . . . . 0.0 112.929 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.17 -34.88 79.04 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.999 0.92 . . . . 0.0 112.985 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.5 -44.24 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 119.401 1.001 . . . . 0.0 109.95 -175.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.69 -35.31 74.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.29 0.636 . . . . 0.0 112.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.81 73.21 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.377 -0.827 . . . . 0.0 111.716 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.27 -42.42 86.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.797 0.839 . . . . 0.0 111.736 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.24 -41.63 93.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.521 0.6 . . . . 0.0 112.423 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.32 -41.85 80.2 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.779 0.718 . . . . 0.0 112.733 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.8 -52.54 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.905 0.882 . . . . 0.0 111.433 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.12 -26.5 61.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.457 1.103 . . . . 0.0 113.383 -174.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.73 -43.45 2.79 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.148 1.833 . . . . 0.0 115.179 167.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -138.22 147.25 43.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.046 1.338 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 65.07 176.93 0.2 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.061 2.144 . . . . 0.0 112.975 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.49 117.13 4.56 Favored Glycine 0 N--CA 1.468 0.829 0 C-N-CA 124.291 0.948 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.89 160.86 22.41 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.456 1.103 . . . . 0.0 112.446 164.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -84.15 -18.27 37.3 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -80.11 104.86 10.96 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.467 1.03 . . . . 0.0 110.892 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -135.84 100.75 10.84 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 124.243 1.017 . . . . 0.0 108.373 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo . . . . . 0 C--N 1.351 0.692 0 C-N-CA 123.797 2.998 . . . . 0.0 111.646 -169.357 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.407 HG23 ' H ' ' A' ' 3' ' ' VAL 0.313 12.0 tt . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 117.474 2.398 . . . . 0.0 117.474 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' ILE . 24.4 t -58.32 -35.38 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.062 1.345 . . . . 0.0 110.836 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -64.79 -15.0 61.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.345 1.058 . . . . 0.0 113.3 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -98.62 -62.29 1.26 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.208 1.003 . . . . 0.0 109.85 168.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -68.82 -24.84 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -166.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -111.77 87.02 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.211 1.404 . . . . 0.0 111.113 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -116.65 118.23 32.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 129.274 3.03 . . . . 0.0 111.25 -0.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -163.61 159.3 21.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.34 165.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.3 119.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.276 -0.89 . . . . 0.0 110.853 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 m -114.87 150.42 35.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.768 1.227 . . . . 0.0 111.567 170.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 m -151.95 159.43 43.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.832 1.253 . . . . 0.0 110.877 -163.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.33 -45.3 45.29 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -71.01 -21.72 62.25 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.91 -43.45 11.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.47 1.108 . . . . 0.0 110.502 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.57 -30.09 71.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.015 1.326 . . . . 0.0 113.507 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.37 -27.03 67.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.777 0.831 . . . . 0.0 112.694 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -62.32 -17.2 58.17 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -104.62 3.0 31.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.619 1.167 . . . . 0.0 112.832 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.06 140.33 54.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.804 1.242 . . . . 0.0 111.132 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.414 -0.804 . . . . 0.0 112.041 175.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 p90 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.45 159.83 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.293 1.037 . . . . 0.0 111.878 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.04 118.89 5.9 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.702 1.201 . . . . 0.0 110.46 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.77 170.51 19.45 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.39 0.676 . . . . 0.0 112.706 -168.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -73.92 135.0 43.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.478 1.111 . . . . 0.0 110.601 169.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.23 130.25 38.79 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.82 0.848 . . . . 0.0 111.687 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -132.91 136.9 46.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.255 1.422 . . . . 0.0 110.315 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.16 -120.99 20.44 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.237 0.923 . . . . 0.0 113.554 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -46.63 64.23 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.018 1.327 . . . . 0.0 112.71 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -38.76 75.05 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.686 -1.259 . . . . 0.0 112.498 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -42.72 70.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.686 1.194 . . . . 0.0 110.574 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.64 -45.0 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.428 1.091 . . . . 0.0 111.904 172.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.46 -44.56 94.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 111.143 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.0 -48.9 79.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.722 0.809 . . . . 0.0 111.416 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.67 -45.26 81.8 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.206 0.603 . . . . 0.0 112.036 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.79 -38.01 80.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.129 0.972 . . . . 0.0 113.008 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.16 -40.26 52.98 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.645 0.778 . . . . 0.0 112.294 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.52 -51.68 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.553 1.141 . . . . 0.0 111.178 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.73 -27.53 68.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.756 0.822 . . . . 0.0 112.518 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.12 1.18 Allowed Glycine 0 C--N 1.342 0.901 0 C-N-CA 125.186 1.374 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.336 10.7 pt-20 48.0 -133.47 1.3 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.931 1.293 . . . . 0.0 111.154 -158.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 66.94 -16.85 0.13 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.498 2.319 . . . . 0.0 115.286 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.88 172.87 49.55 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.274 1.892 . . . . 0.0 113.294 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.78 155.85 35.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.816 1.646 . . . . 0.0 110.489 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -84.51 -12.8 53.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -171.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.76 87.64 5.84 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.135 0.88 . . . . 0.0 111.002 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.5 p -118.14 93.14 44.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 124.843 1.257 . . . . 0.0 109.339 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.352 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 112.137 -175.467 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.51 HD13 ' CE2' ' A' ' 19' ' ' TYR . 3.7 tp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.24 -28.56 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.06 -22.99 55.05 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.897 0.879 . . . . 0.0 111.78 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -87.52 -66.44 0.91 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.434 1.093 . . . . 0.0 109.589 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -29.38 70.38 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -163.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.19 -15.42 63.39 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -124.42 -28.2 3.66 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.032 1.733 . . . . 0.0 112.694 -171.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 m -127.14 156.09 42.32 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.003 2.521 . . . . 0.0 111.208 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.11 134.89 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.171 -0.956 . . . . 0.0 111.841 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.79 -113.61 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.254 1.421 . . . . 0.0 111.685 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m 89.61 148.18 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 128.888 2.875 . . . . 0.0 112.698 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.54 -44.85 66.06 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.31 -22.31 61.95 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -85.76 -48.18 9.05 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.297 1.039 . . . . 0.0 109.608 170.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.62 -31.11 67.79 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.177 1.391 . . . . 0.0 113.402 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.0 -27.46 68.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.744 0.818 . . . . 0.0 112.852 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -16.76 61.59 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.51 ' CE2' HD13 ' A' ' 2' ' ' ILE . 8.0 m-85 -108.05 9.78 28.35 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.158 1.383 . . . . 0.0 112.019 177.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.45 144.45 48.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.331 1.053 . . . . 0.0 111.443 172.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 124.012 0.925 . . . . 0.0 111.795 177.693 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t 78.28 148.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 128.233 2.613 . . . . 0.0 111.723 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -70.07 92.61 0.75 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.747 1.219 . . . . 0.0 110.297 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -155.85 179.61 9.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.054 0.942 . . . . 0.0 112.754 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -87.53 58.18 4.8 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.159 1.783 . . . . 0.0 112.91 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 137.3 58.17 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.884 -1.135 . . . . 0.0 112.065 -175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -136.16 151.03 49.33 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.215 1.006 . . . . 0.0 111.751 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.78 -125.74 37.48 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.636 0.636 . . . . 0.0 112.987 171.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -54.55 -49.44 70.32 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.235 1.014 . . . . 0.0 112.234 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.88 -35.72 69.26 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.963 -1.086 . . . . 0.0 113.097 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.03 -44.67 72.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.477 0.711 . . . . 0.0 111.363 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.58 -42.84 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.63 0.65 . . . . 0.0 111.669 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.44 -47.82 84.0 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.086 1.354 . . . . 0.0 111.096 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.74 75.1 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.609 0.763 . . . . 0.0 112.201 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.69 -42.32 78.87 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.39 0.676 . . . . 0.0 111.567 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -64.49 -41.47 96.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.474 0.71 . . . . 0.0 112.577 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.59 -40.85 89.1 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.958 0.799 . . . . 0.0 112.046 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.36 -52.46 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.491 1.116 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.72 -31.93 72.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.564 0.746 . . . . 0.0 112.556 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.1 -0.69 58.26 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 126.076 1.798 . . . . 0.0 115.295 169.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -172.87 167.96 5.06 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.332 2.253 . . . . 0.0 108.374 -168.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 72.3 -23.8 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.352 2.261 . . . . 0.0 115.687 161.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.69 14.28 70.72 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.201 1.382 . . . . 0.0 115.777 171.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 45.88 -166.66 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.457 1.903 . . . . 0.0 115.105 -174.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.48 -10.54 13.19 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -88.72 87.74 7.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.758 0.823 . . . . 0.0 110.872 174.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -117.2 85.93 19.97 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 124.791 1.236 . . . . 0.0 110.03 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo . . . . . 0 C--N 1.351 0.696 0 C-N-CA 123.819 3.013 . . . . 0.0 112.113 -176.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.95 -37.9 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.535 0.734 . . . . 0.0 110.08 -169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.93 -12.9 54.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.078 1.751 . . . . 0.0 113.341 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.86 -64.9 1.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.707 1.203 . . . . 0.0 109.912 170.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 m -75.75 -26.04 57.07 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -164.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.34 -31.08 14.8 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.454 0.57 . . . . 0.0 112.183 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.2 m -77.84 -37.18 49.01 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.397 1.479 . . . . 0.0 112.486 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -139.89 -169.01 2.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.741 1.616 . . . . 0.0 111.05 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.39 127.52 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.828 -1.17 . . . . 0.0 111.444 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -90.31 156.77 18.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 112.08 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -151.99 156.68 40.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.521 0.729 . . . . 0.0 112.034 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -53.82 -43.04 69.05 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -73.05 -27.81 61.96 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -71.93 -49.46 37.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.92 -37.43 84.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.791 1.636 . . . . 0.0 113.665 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -28.01 68.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.89 -14.47 59.8 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -109.4 7.57 25.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.726 1.21 . . . . 0.0 112.962 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.72 140.01 51.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.713 1.205 . . . . 0.0 111.286 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.536 -0.728 . . . . 0.0 111.494 175.174 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t 73.65 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 128.954 2.901 . . . . 0.0 113.438 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.05 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.209 1.804 . . . . 0.0 110.817 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 82.49 159.67 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.193 2.597 . . . . 0.0 113.409 165.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -85.67 39.42 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.681 1.593 . . . . 0.0 112.015 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pp -63.92 133.52 53.41 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.78 1.632 . . . . 0.0 114.108 -167.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.1 m -128.13 157.3 41.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.701 2.0 . . . . 0.0 111.187 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.29 -119.49 13.67 Favored Glycine 0 N--CA 1.474 1.23 0 C-N-CA 123.937 0.779 . . . . 0.0 113.906 165.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -54.88 -53.04 60.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.294 1.037 . . . . 0.0 112.118 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.23 -39.58 60.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.501 1.12 . . . . 0.0 112.079 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.43 -38.24 71.38 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.985 0.914 . . . . 0.0 112.153 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.89 -43.82 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.246 1.019 . . . . 0.0 111.303 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.7 -45.45 92.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.21 0.604 . . . . 0.0 111.343 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.16 70.84 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.987 0.915 . . . . 0.0 111.225 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 28.4 mt -55.91 -45.03 78.8 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.946 0.498 . . . . 0.0 111.96 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -62.29 -43.49 98.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.805 0.729 . . . . 0.0 112.543 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.7 -34.45 77.87 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.458 -0.776 . . . . 0.0 112.491 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.63 -52.6 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.807 0.843 . . . . 0.0 111.548 173.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 t -80.0 -25.54 40.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.84 -159.5 43.94 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.466 1.507 . . . . 0.0 112.854 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.18 -7.07 5.1 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -60.66 -29.75 69.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.512 1.525 . . . . 0.0 112.965 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.75 -174.99 52.29 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.809 1.195 . . . . 0.0 113.116 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 25.8 p80 -153.61 157.84 40.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.443 1.097 . . . . 0.0 112.556 -176.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -90.11 -6.09 55.8 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.13 -38.55 90.99 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.3 p -23.52 103.18 0.1 Allowed Pre-proline 0 N--CA 1.484 1.227 0 C-N-CA 128.12 2.568 . . . . 0.0 113.823 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.354 0.861 0 C-N-CA 123.647 2.898 . . . . 0.0 112.11 -163.254 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.28 -27.07 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 120.133 1.333 . . . . 0.0 113.455 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.7 -6.37 25.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 172.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.24 -62.13 1.58 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.588 1.555 . . . . 0.0 109.836 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.8 t -78.03 -30.71 50.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.56 -25.47 22.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.887 0.875 . . . . 0.0 112.434 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -84.51 -33.64 23.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.486 1.514 . . . . 0.0 112.568 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -136.8 -176.7 4.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.596 1.159 . . . . 0.0 112.336 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.36 133.23 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.699 1.2 . . . . 0.0 110.554 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -136.05 120.62 18.25 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.007 1.323 . . . . 0.0 111.998 -172.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -130.94 174.88 9.56 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.803 1.241 . . . . 0.0 112.772 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.1 -42.85 14.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -73.3 -22.99 60.22 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.68 -47.11 11.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.676 1.19 . . . . 0.0 109.095 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.47 -34.45 69.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.811 1.644 . . . . 0.0 112.973 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.17 -26.87 65.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.882 0.873 . . . . 0.0 113.198 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -65.48 -18.7 65.52 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.926 -1.109 . . . . 0.0 113.56 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.79 8.63 26.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.197 1.399 . . . . 0.0 112.245 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.74 140.19 45.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.88 1.272 . . . . 0.0 111.419 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.569 0.748 . . . . 0.0 111.626 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.61 173.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.597 1.959 . . . . 0.0 109.328 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -62.01 100.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.684 -1.26 . . . . 0.0 109.136 160.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.01 168.42 27.17 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.999 0.919 . . . . 0.0 111.797 -167.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -74.21 128.15 34.79 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.297 0.639 . . . . 0.0 109.688 164.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.37 126.19 54.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.801 0.84 . . . . 0.0 111.024 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.15 165.2 13.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -172.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.81 -49.48 2.1 Favored Glycine 0 N--CA 1.479 1.502 0 C-N-CA 126.405 1.955 . . . . 0.0 114.516 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.9 t -156.86 -40.88 0.07 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.57 1.948 . . . . 0.0 110.475 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -35.5 20.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.191 1.396 . . . . 0.0 113.71 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -41.23 98.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.411 1.484 . . . . 0.0 112.019 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -69.54 -43.34 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.25 1.02 . . . . 0.0 110.553 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.2 -45.15 93.05 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.43 -49.34 71.87 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.561 1.144 . . . . 0.0 112.097 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.9 mt -57.09 -41.85 79.63 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.668 0.387 . . . . 0.0 111.326 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.61 -39.56 93.94 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 173.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.18 -40.29 94.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.694 1.134 . . . . 0.0 112.056 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.71 -50.68 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.816 1.246 . . . . 0.0 111.329 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.15 -11.7 46.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 144.16 39.65 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.523 1.058 . . . . 0.0 114.15 -166.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.43 10.76 14.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.486 2.714 . . . . 0.0 114.507 0.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -73.88 -17.89 60.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -166.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.74 -171.98 51.42 Favored Glycine 0 N--CA 1.473 1.118 0 C-N-CA 124.682 1.134 . . . . 0.0 113.375 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 22.1 p80 -152.8 155.91 38.05 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.641 -0.917 . . . . 0.0 113.124 -175.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -83.09 -11.22 58.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.729 1.212 . . . . 0.0 114.029 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.14 -39.17 92.65 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -18.04 98.25 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 128.521 2.728 . . . . 0.0 113.898 -168.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--N 1.352 0.717 0 C-N-CA 123.798 2.999 . . . . 0.0 112.071 -162.093 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.437 HG23 ' H ' ' A' ' 3' ' ' VAL . 8.7 tt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 2' ' ' ILE . 8.2 p -66.98 -25.37 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.798 0.839 . . . . 0.0 111.857 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.44 -17.83 60.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.289 1.436 . . . . 0.0 112.74 171.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -106.06 -52.63 2.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.381 1.472 . . . . 0.0 110.103 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.83 -31.21 70.64 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -72.52 -16.26 61.78 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.126 -0.983 . . . . 0.0 113.579 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -125.43 -13.78 6.53 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.655 1.582 . . . . 0.0 114.073 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -147.1 155.89 42.55 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.052 1.741 . . . . 0.0 110.798 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -79.95 125.81 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 120.509 -1.37 . . . . 0.0 113.213 -162.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.11 95.52 6.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -83.74 168.93 15.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.201 1.0 . . . . 0.0 112.311 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -44.93 -44.61 9.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.956 1.702 . . . . 0.0 115.453 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.93 -23.63 62.29 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -90.06 -37.93 13.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.53 -35.55 72.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.404 1.081 . . . . 0.0 112.425 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.07 -26.19 65.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.944 0.897 . . . . 0.0 112.745 175.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -64.51 -18.58 64.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.059 -1.026 . . . . 0.0 113.354 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.93 7.09 29.82 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.046 1.338 . . . . 0.0 112.597 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -72.39 137.89 46.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.681 1.193 . . . . 0.0 111.235 175.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.614 -0.679 . . . . 0.0 111.883 177.252 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 m 61.39 148.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 130.714 3.606 . . . . 0.0 115.285 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -63.92 129.97 42.19 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.569 -0.707 . . . . 0.0 110.659 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -169.21 171.02 8.29 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.833 1.253 . . . . 0.0 109.938 -168.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.65 58.13 1.35 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.258 1.023 . . . . 0.0 111.286 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.04 133.4 38.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.866 2.066 . . . . 0.0 113.242 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t -155.27 141.94 18.89 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.353 0.661 . . . . 0.0 111.155 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.09 -129.1 45.71 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.711 0.672 . . . . 0.0 112.344 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -53.23 -47.1 69.27 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.617 1.167 . . . . 0.0 112.657 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -40.49 67.51 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.881 -1.137 . . . . 0.0 112.495 178.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -69.59 -41.93 75.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.95 0.9 . . . . 0.0 111.429 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.61 -45.45 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.091 0.86 . . . . 0.0 111.73 174.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.96 -46.84 87.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.54 1.136 . . . . 0.0 110.781 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.09 69.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.296 1.038 . . . . 0.0 111.971 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.68 -43.55 80.55 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.478 0.711 . . . . 0.0 111.57 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.18 -43.82 97.16 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.69 -32.96 73.14 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.423 -0.798 . . . . 0.0 112.631 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.21 -54.27 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.338 1.055 . . . . 0.0 111.219 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.25 -29.11 60.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -158.4 41.4 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.177 1.37 . . . . 0.0 112.607 -172.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.7 -11.32 11.39 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.26 -25.28 65.1 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.555 1.142 . . . . 0.0 113.021 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.68 -170.13 52.96 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.73 1.157 . . . . 0.0 113.767 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -148.1 154.87 40.77 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.391 1.076 . . . . 0.0 112.457 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -81.31 -10.59 59.54 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.642 1.177 . . . . 0.0 114.173 -175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.79 -38.24 88.48 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -20.19 99.92 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.3 2.64 . . . . 0.0 113.9 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo . . . . . 0 C--N 1.353 0.779 0 C-N-CA 123.845 3.03 . . . . 0.0 112.138 -164.676 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.37 -27.39 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -163.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.26 -6.96 26.66 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.702 1.201 . . . . 0.0 113.25 175.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -120.63 -48.26 2.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.277 1.431 . . . . 0.0 110.556 167.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -79.29 -2.06 39.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -170.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.49 -22.6 11.58 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 163.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -91.8 -24.82 19.28 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.385 1.474 . . . . 0.0 113.367 -173.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -149.65 -172.94 4.27 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.167 1.387 . . . . 0.0 111.674 178.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.8 134.12 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.151 0.98 . . . . 0.0 110.545 177.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 t -140.37 149.19 42.37 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.268 1.027 . . . . 0.0 111.243 174.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -149.11 156.86 42.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.516 -149.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -49.72 -44.61 48.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -72.08 -22.3 61.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.55 -44.81 11.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.435 1.094 . . . . 0.0 110.064 172.021 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.98 -34.29 71.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.502 1.521 . . . . 0.0 113.407 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.96 -27.45 65.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.514 0.726 . . . . 0.0 112.822 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -63.72 -18.26 63.84 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.69 7.4 30.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.847 1.259 . . . . 0.0 112.534 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -67.96 145.2 54.76 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.412 1.085 . . . . 0.0 111.395 174.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.898 0.879 . . . . 0.0 112.682 -176.713 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -138.76 149.25 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.393 1.877 . . . . 0.0 108.874 178.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -42.15 116.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.573 1.949 . . . . 0.0 113.039 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -163.86 -177.09 4.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.753 2.021 . . . . 0.0 109.388 -173.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -78.34 -11.19 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -175.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt 55.16 -153.43 0.32 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.597 2.359 . . . . 0.0 111.508 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t 86.53 -28.72 0.06 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.565 2.346 . . . . 0.0 114.87 157.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.38 69.83 2.24 Favored Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.261 1.41 . . . . 0.0 111.634 176.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m 75.17 -4.79 2.3 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.156 2.582 . . . . 0.0 112.817 -169.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.37 -154.4 0.19 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.733 2.013 . . . . 0.0 112.921 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 76.9 -54.68 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.242 3.017 . . . . 0.0 110.864 170.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.93 -43.29 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.622 1.169 . . . . 0.0 110.365 161.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.61 -45.53 89.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.141 1.376 . . . . 0.0 111.039 175.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.05 71.34 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.832 0.853 . . . . 0.0 111.135 176.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.45 -46.54 76.77 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.614 0.765 . . . . 0.0 111.905 175.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.1 -43.79 95.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.585 0.63 . . . . 0.0 112.468 175.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.91 -36.03 75.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.642 0.777 . . . . 0.0 112.517 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.02 -53.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.204 1.002 . . . . 0.0 111.204 173.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t -71.09 -22.55 62.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.424 1.089 . . . . 0.0 113.746 -174.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.0 3.19 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.199 1.857 . . . . 0.0 114.534 168.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -164.71 158.35 17.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.978 1.311 . . . . 0.0 112.576 -176.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 73.83 4.0 4.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.822 2.449 . . . . 0.0 114.409 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.37 -144.6 19.98 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 125.218 1.389 . . . . 0.0 114.232 169.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -172.78 162.47 4.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.595 1.958 . . . . 0.0 111.702 -172.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -87.88 -8.88 55.22 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.82 -41.96 95.34 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.7 p -11.07 91.71 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 129.185 2.994 . . . . 0.0 114.125 -171.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--N 1.353 0.784 0 C-N-CA 123.836 3.024 . . . . 0.0 112.359 -166.343 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.76 -26.81 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.803 1.641 . . . . 0.0 113.311 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.31 -14.1 60.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.235 1.014 . . . . 0.0 112.806 176.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -109.12 -84.26 0.55 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.692 1.597 . . . . 0.0 108.903 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -56.41 -40.36 74.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -161.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.8 -18.05 62.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -111.66 -30.98 7.13 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.372 1.869 . . . . 0.0 112.086 -173.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -156.33 147.88 22.66 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.803 1.641 . . . . 0.0 111.126 -176.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 mt -68.0 132.35 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.542 -0.724 . . . . 0.0 112.5 -161.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -122.08 163.16 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.319 1.448 . . . . 0.0 111.833 176.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -146.19 174.38 11.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.287 1.435 . . . . 0.0 110.768 -170.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.13 -45.59 8.3 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -72.48 -23.48 61.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -84.13 -47.36 10.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.568 1.147 . . . . 0.0 109.517 171.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.84 -32.47 69.44 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.728 1.611 . . . . 0.0 113.204 179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.0 -26.78 66.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.707 0.803 . . . . 0.0 113.065 177.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -64.67 -17.49 64.12 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.974 -1.079 . . . . 0.0 113.758 177.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.35 5.85 27.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.418 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.04 141.58 49.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.259 1.423 . . . . 0.0 111.297 175.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.472 0.668 0 O-C-N 121.478 -0.763 . . . . 0.0 111.655 177.25 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.4 t -127.22 142.76 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.862 1.665 . . . . 0.0 109.519 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.98 134.35 55.65 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.473 1.109 . . . . 0.0 113.285 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -177.77 179.61 0.87 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.459 2.704 . . . . 0.0 108.332 -173.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.62 58.74 1.84 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.967 0.907 . . . . 0.0 111.927 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 mt -49.23 129.48 18.21 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.51 1.924 . . . . 0.0 111.749 -173.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.22 142.96 22.89 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.267 0.627 . . . . 0.0 112.145 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.95 -123.47 28.4 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.329 0.49 . . . . 0.0 111.944 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -53.01 -53.09 55.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.544 1.138 . . . . 0.0 112.459 177.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -48.1 -43.43 30.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.902 1.281 . . . . 0.0 113.06 173.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.87 -38.37 57.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.822 0.849 . . . . 0.0 112.129 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.84 -42.5 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.986 0.915 . . . . 0.0 111.39 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.76 -47.74 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.723 1.209 . . . . 0.0 110.981 175.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.35 73.81 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.678 0.791 . . . . 0.0 111.554 177.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.33 -43.39 83.32 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.201 0.601 . . . . 0.0 111.956 176.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.53 -44.36 96.55 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.92 0.782 . . . . 0.0 112.432 174.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.63 -31.82 71.25 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.529 0.732 . . . . 0.0 112.609 -178.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.21 -54.65 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.143 0.977 . . . . 0.0 111.362 170.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.2 t -79.28 -34.87 42.12 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -166.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.53 -171.86 31.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.622 1.582 . . . . 0.0 113.68 -174.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.91 -15.11 58.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.507 1.523 . . . . 0.0 114.613 -174.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.2 -16.69 63.8 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.101 1.36 . . . . 0.0 114.057 171.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 -171.23 54.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.999 1.285 . . . . 0.0 114.345 171.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -147.8 159.84 43.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.295 1.438 . . . . 0.0 111.92 -174.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -84.82 -13.74 50.15 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -173.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -80.18 88.99 5.43 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.257 0.935 . . . . 0.0 111.097 171.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -118.44 88.94 35.12 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 124.543 1.137 . . . . 0.0 108.452 174.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 C--N 1.353 0.807 0 C-N-CA 124.039 3.159 . . . . 0.0 112.252 -169.934 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.4 -49.62 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.64 -45.56 86.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.253 0.621 . . . . 0.0 111.473 -174.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.73 -21.84 63.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.4 m -104.69 -31.25 9.45 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -100.85 -28.68 12.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.228 1.011 . . . . 0.0 113.322 -174.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -103.82 -44.12 5.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.082 1.353 . . . . 0.0 110.536 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.0 m -97.71 179.89 4.67 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.161 0.984 . . . . 0.0 111.745 163.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.5 mm -98.11 137.91 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.666 1.186 . . . . 0.0 110.23 174.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -126.65 167.48 15.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.722 1.209 . . . . 0.0 112.998 176.06 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -145.1 167.46 22.67 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.145 1.378 . . . . 0.0 112.603 -174.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -47.58 -45.43 27.25 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.451 1.901 . . . . 0.0 115.457 -173.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.38 -23.21 62.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.324 -0.86 . . . . 0.0 113.252 -176.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.34 -44.32 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.21 1.004 . . . . 0.0 110.156 170.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.48 -30.44 68.54 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.597 1.159 . . . . 0.0 113.468 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.95 -26.17 67.33 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.506 -0.746 . . . . 0.0 112.804 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 177.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.53 5.76 31.71 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 0.0 112.448 178.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.85 139.12 53.05 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.168 1.387 . . . . 0.0 111.442 174.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.758 0.789 . . . . 0.0 111.557 179.046 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.24 150.01 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.115 1.366 . . . . 0.0 109.781 175.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.82 127.72 24.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.388 1.075 . . . . 0.0 112.503 174.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -169.51 166.78 10.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.37 1.868 . . . . 0.0 109.684 -173.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -71.74 118.79 15.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.77 -0.581 . . . . 0.0 110.831 170.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.2 mt -108.02 122.88 47.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.738 1.615 . . . . 0.0 109.843 177.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.4 m -134.97 138.07 43.67 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.689 1.196 . . . . 0.0 110.094 -176.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -121.79 25.25 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.868 0.747 . . . . 0.0 112.932 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -53.52 -38.78 64.08 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.924 1.29 . . . . 0.0 113.419 177.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.6 94.93 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.207 -0.933 . . . . 0.0 111.627 177.095 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -43.36 74.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.377 1.471 . . . . 0.0 110.242 176.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.03 -49.23 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.321 1.049 . . . . 0.0 111.927 174.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.74 -32.52 69.71 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.058 0.844 . . . . 0.0 112.461 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.67 68.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.992 0.815 . . . . 0.0 111.296 171.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 24.0 mt -54.9 -44.93 74.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.663 0.785 . . . . 0.0 111.432 175.226 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.06 -40.75 98.64 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.23 -39.7 82.23 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.422 1.01 . . . . 0.0 111.82 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.11 -52.11 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.554 1.142 . . . . 0.0 110.851 175.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.32 -34.17 63.39 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -174.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.1 -161.01 39.18 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.004 1.288 . . . . 0.0 112.483 -170.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 -12.64 16.24 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.2 -30.89 70.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.902 1.281 . . . . 0.0 113.175 173.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 -173.19 47.39 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.433 1.016 . . . . 0.0 113.369 -177.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.6 p80 -144.98 158.22 43.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.324 1.05 . . . . 0.0 112.902 -174.704 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -85.08 -9.73 57.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.756 1.222 . . . . 0.0 114.181 -177.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.72 -37.22 86.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -175.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.3 p -21.61 99.84 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.377 0 C-N-CA 128.332 2.653 . . . . 0.0 113.537 -168.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo . . . . . 0 CA--C 1.542 0.905 0 C-N-CA 123.231 2.62 . . . . 0.0 111.411 -161.654 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.5 t -67.0 -21.01 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.927 1.291 . . . . 0.0 112.158 -178.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.23 -3.39 31.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.663 1.585 . . . . 0.0 112.49 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -133.29 -52.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.158 0.983 . . . . 0.0 112.319 -163.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.23 -45.25 6.58 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.566 1.146 . . . . 0.0 110.729 176.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 137.08 50.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.691 171.384 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p 76.74 7.23 3.26 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 128.682 2.793 . . . . 0.0 113.978 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -138.1 174.77 10.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.261 1.424 . . . . 0.0 111.141 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.23 116.87 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.224 -0.923 . . . . 0.0 109.258 174.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -136.79 95.72 3.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.057 0.943 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -88.34 174.9 7.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.816 1.246 . . . . 0.0 112.627 -177.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.54 -42.61 33.9 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -174.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -74.24 -22.15 59.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -82.72 -47.79 11.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 108.981 171.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.5 -36.54 69.29 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.322 1.849 . . . . 0.0 113.024 178.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.47 -27.24 65.94 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -63.95 -17.34 63.16 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.88 7.69 28.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.875 1.27 . . . . 0.0 112.166 176.285 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -73.81 166.17 23.8 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.005 0.922 . . . . 0.0 111.251 168.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.495 1.118 . . . . 0.0 114.005 177.11 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 p90 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.12 165.26 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 126.959 2.104 . . . . 0.0 108.721 -177.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -59.58 103.82 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 O-C-N 120.717 -1.239 . . . . 0.0 110.378 165.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -162.32 169.83 19.92 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.945 1.298 . . . . 0.0 110.555 -166.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.0 69.56 3.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.438 1.095 . . . . 0.0 112.525 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.21 134.9 57.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.128 1.371 . . . . 0.0 111.532 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 178.67 158.02 0.51 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.686 1.994 . . . . 0.0 111.941 168.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.74 63.62 4.03 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.395 1.474 . . . . 0.0 116.626 161.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -113.17 15.32 19.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.414 2.686 . . . . 0.0 112.741 3.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -46.06 -33.97 3.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.86 2.064 . . . . 0.0 114.301 -171.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -45.17 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.948 2.099 . . . . 0.0 112.547 172.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.02 -39.9 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.849 1.26 . . . . 0.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.92 -45.12 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 110.792 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.86 80.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.353 1.061 . . . . 0.0 111.698 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -57.97 -42.53 85.23 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.56 175.315 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -61.36 -43.1 99.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.421 1.009 . . . . 0.0 112.376 173.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.06 -35.15 79.21 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.45 -0.781 . . . . 0.0 112.685 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.61 -52.5 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.543 1.137 . . . . 0.0 111.778 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -79.18 -22.53 44.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.419 1.487 . . . . 0.0 114.273 -171.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.57 -165.37 42.4 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.181 1.848 . . . . 0.0 113.868 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -57.18 -17.35 10.82 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.999 1.719 . . . . 0.0 113.763 177.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -60.62 -35.63 76.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.82 1.648 . . . . 0.0 112.865 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.15 147.93 7.53 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.466 1.508 . . . . 0.0 113.495 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.73 163.31 12.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.935 1.694 . . . . 0.0 112.691 172.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -85.27 -15.45 43.4 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.25 -42.5 88.48 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -3.98 86.53 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.427 0 C-N-CA 129.269 3.028 . . . . 0.0 114.289 -176.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--N 1.353 0.766 0 C-N-CA 124.073 3.182 . . . . 0.0 112.378 -166.533 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.74 -25.86 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -176.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.03 -13.51 61.62 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.812 0.845 . . . . 0.0 112.342 176.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -100.83 -56.9 2.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.405 1.082 . . . . 0.0 110.401 172.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.88 -26.39 57.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.1 m -91.23 98.61 11.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 109.988 164.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -119.43 109.8 16.18 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.241 3.416 . . . . 0.0 109.611 -7.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -163.39 155.53 17.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.648 1.579 . . . . 0.0 110.66 175.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.2 123.98 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.955 -175.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.98 135.4 49.86 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.913 1.285 . . . . 0.0 110.837 174.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.9 m -133.52 161.34 34.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.187 0.995 . . . . 0.0 113.245 -168.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.67 -43.51 26.43 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -172.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -72.84 -23.78 60.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.22 -49.94 10.17 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.612 1.165 . . . . 0.0 108.608 170.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -29.48 66.68 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.683 1.593 . . . . 0.0 113.222 -178.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 23.5 tt0 -61.01 -27.17 68.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.358 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.25 -16.33 63.93 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.171 -0.956 . . . . 0.0 113.571 176.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -103.79 2.84 33.33 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.741 1.216 . . . . 0.0 112.268 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -69.77 147.72 50.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.591 0.756 . . . . 0.0 111.894 174.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.549 0.739 . . . . 0.0 111.946 178.74 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.51 151.77 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.945 1.698 . . . . 0.0 109.622 179.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -55.89 111.93 1.05 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.019 1.328 . . . . 0.0 110.854 174.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -162.26 175.7 11.36 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.338 1.055 . . . . 0.0 111.384 -169.098 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -76.44 70.76 3.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.142 1.377 . . . . 0.0 111.919 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.99 114.1 1.97 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.984 1.314 . . . . 0.0 112.273 -170.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -170.13 145.23 2.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.395 0.678 . . . . 0.0 111.739 -162.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.3 -98.98 0.68 Allowed Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.397 0.999 . . . . 0.0 112.787 170.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -77.25 18.39 0.4 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.287 1.835 . . . . 0.0 113.453 172.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 168.76 25.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 128.256 2.622 . . . . 0.0 112.162 179.143 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.7 tp 111.97 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.69 1 C-N-CA 132.909 4.484 . . . . 0.0 112.012 175.436 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.12 -37.41 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.033 0.933 . . . . 0.0 109.758 172.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -60.98 -52.98 62.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.256 3.422 . . . . 0.0 110.388 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -51.05 68.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.853 1.261 . . . . 0.0 111.555 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.6 mt -53.89 -48.07 70.46 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.095 0.558 . . . . 0.0 110.259 174.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.14 -40.24 84.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.449 1.022 . . . . 0.0 113.277 175.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.82 -35.3 78.37 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.075 -1.016 . . . . 0.0 112.813 176.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.17 -54.6 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.69 1.196 . . . . 0.0 111.166 174.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.36 -21.79 48.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.43 1.892 . . . . 0.0 114.683 -170.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.57 -162.73 54.16 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.615 1.102 . . . . 0.0 113.053 -175.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.56 -20.05 59.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.037 1.335 . . . . 0.0 113.194 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -65.3 -27.78 68.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.48 1.112 . . . . 0.0 112.63 173.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -164.45 54.77 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.121 1.343 . . . . 0.0 115.091 170.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 17.2 p80 -145.14 164.13 32.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.818 2.047 . . . . 0.0 111.745 -173.079 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -89.17 -9.38 51.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -175.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.16 -46.21 78.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.274 0.943 . . . . 0.0 112.82 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -2.06 83.79 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 C-N-CA 129.221 3.008 . . . . 0.0 114.523 -177.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--N 1.351 0.68 0 C-N-CA 124.057 3.171 . . . . 0.0 112.225 -168.828 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -77.37 117.65 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 160.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 60.55 98.14 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.586 1.554 . . . . 0.0 108.582 -138.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.16 -39.72 94.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 129.345 3.058 . . . . 0.0 114.826 10.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.6 m -68.97 149.91 48.29 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.383 0.992 . . . . 0.0 112.365 -168.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t 72.31 -35.61 0.33 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.42 2.288 . . . . 0.0 113.497 -177.497 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -71.73 -40.28 69.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.949 1.7 . . . . 0.0 110.109 165.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -140.48 -177.54 5.09 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.71 1.604 . . . . 0.0 111.828 173.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.06 137.07 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.918 1.287 . . . . 0.0 110.557 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.16 144.9 46.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 112.003 162.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -148.08 161.56 41.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.322 2.249 . . . . 0.0 108.956 -172.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.07 -44.29 20.82 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -170.13 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -72.44 -22.88 61.03 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -88.61 -41.25 12.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.372 1.069 . . . . 0.0 110.462 171.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.09 -33.0 71.49 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.386 1.475 . . . . 0.0 113.063 177.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.02 -26.69 64.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.647 1.179 . . . . 0.0 112.919 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.66 -17.62 63.12 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.149 -0.969 . . . . 0.0 113.609 174.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -108.35 7.94 27.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.613 1.565 . . . . 0.0 112.416 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -79.11 142.3 36.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.676 1.19 . . . . 0.0 111.395 175.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 123.854 0.862 . . . . 0.0 112.342 -179.116 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t 76.19 132.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 128.743 2.817 . . . . 0.0 112.151 173.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -58.15 126.2 26.46 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.313 1.045 . . . . 0.0 112.056 173.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -171.2 177.52 3.6 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.764 1.626 . . . . 0.0 109.914 -172.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -75.04 64.8 1.39 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.925 1.29 . . . . 0.0 111.336 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -55.49 122.75 11.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.771 1.628 . . . . 0.0 112.379 -173.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -176.5 3.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.708 1.603 . . . . 0.0 109.643 176.383 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.21 133.39 26.23 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 111.111 173.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -88.68 -14.67 36.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.346 3.058 . . . . 0.0 114.79 -0.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -38.81 10.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.084 1.754 . . . . 0.0 114.616 -174.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.33 77.72 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.684 1.594 . . . . 0.0 111.635 177.116 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.22 -44.97 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.428 1.091 . . . . 0.0 110.45 175.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.34 -45.48 92.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.295 1.038 . . . . 0.0 110.774 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.92 70.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.768 1.227 . . . . 0.0 112.024 176.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.92 -37.76 80.39 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.971 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -65.1 -41.34 95.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.588 1.085 . . . . 0.0 112.503 172.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.26 -38.66 91.0 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.19 0.905 . . . . 0.0 112.251 176.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.66 -52.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.587 1.155 . . . . 0.0 111.608 176.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.16 -20.16 27.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.03 -168.38 50.73 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.988 1.28 . . . . 0.0 114.217 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.96 -17.51 63.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.378 1.471 . . . . 0.0 114.506 -173.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -5.84 45.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 175.565 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 -178.18 51.71 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.926 1.25 . . . . 0.0 114.718 167.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -143.72 159.18 42.96 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 126.123 1.769 . . . . 0.0 112.067 -175.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -85.69 -9.49 57.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -64.37 -40.33 95.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -15.05 95.09 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.908 2.883 . . . . 0.0 113.966 -169.188 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 C--N 1.353 0.803 0 C-N-CA 123.843 3.029 . . . . 0.0 112.359 -164.337 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.44 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.307 0.099 . . . . 0.0 111.097 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.09 -19.82 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 1 C-N-CA 132.749 4.42 . . . . 0.0 115.522 1.051 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.63 165.13 12.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.206 1.002 . . . . 0.0 112.383 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 77.48 -58.86 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.48 2.712 . . . . 0.0 109.985 -176.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.13 -38.46 69.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.749 0.82 . . . . 0.0 112.75 -176.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.34 -21.56 53.17 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 167.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -83.18 -37.34 23.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.853 1.661 . . . . 0.0 112.359 -171.379 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -140.92 -167.76 2.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.929 1.292 . . . . 0.0 111.917 -178.028 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.21 123.04 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 120.992 -1.068 . . . . 0.0 110.577 176.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -119.56 148.92 42.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.505 1.522 . . . . 0.0 111.619 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 m -157.55 161.66 38.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.347 1.459 . . . . 0.0 110.786 -165.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -42.0 -48.76 4.64 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.096 1.758 . . . . 0.0 115.716 -178.243 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -70.21 -25.31 63.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -82.97 -43.45 16.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.302 1.041 . . . . 0.0 109.91 171.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.38 -35.86 72.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.167 1.387 . . . . 0.0 112.616 177.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 25.6 tt0 -60.08 -26.51 66.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.632 0.773 . . . . 0.0 113.054 177.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.9 -20.15 65.63 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.286 -0.884 . . . . 0.0 113.364 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD2' HD12 ' A' ' 2' ' ' ILE . 9.9 m-85 -105.55 8.14 33.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.971 1.308 . . . . 0.0 112.406 179.592 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 86.2 m -72.1 151.28 43.17 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.377 -0.827 . . . . 0.0 112.399 175.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 111.656 174.61 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 p90 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 t 77.69 144.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.984 2.514 . . . . 0.0 111.692 174.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -50.88 130.33 25.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.307 1.443 . . . . 0.0 112.96 175.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -169.92 167.46 9.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.98 1.312 . . . . 0.0 111.149 -172.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -73.94 118.74 17.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 164.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 tp -132.39 124.05 27.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.964 0.906 . . . . 0.0 110.506 -158.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -155.77 150.98 26.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.97 -126.12 25.98 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 123.931 0.777 . . . . 0.0 112.216 177.109 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -53.86 -42.96 69.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.016 0.926 . . . . 0.0 112.246 175.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -56.91 -42.33 79.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.135 0.974 . . . . 0.0 112.014 175.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.47 -46.46 69.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.762 0.825 . . . . 0.0 110.779 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.22 -46.65 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 118.591 0.632 . . . . 0.0 112.267 178.04 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.72 -37.96 82.94 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.33 0.514 . . . . 0.0 111.856 -177.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.44 66.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.126 0.971 . . . . 0.0 112.026 175.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 39.1 mt -54.34 -49.38 69.87 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 118.82 -0.609 . . . . 0.0 109.949 174.827 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.13 -40.59 81.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.409 1.004 . . . . 0.0 113.133 174.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.88 -38.92 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.404 1.002 . . . . 0.0 112.519 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.66 -54.44 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.063 1.345 . . . . 0.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -75.38 -23.59 57.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.059 1.744 . . . . 0.0 114.367 -172.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.13 52.29 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.571 1.081 . . . . 0.0 113.125 -177.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.62 -21.0 59.81 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.164 1.385 . . . . 0.0 113.416 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.85 -30.74 71.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.555 1.142 . . . . 0.0 112.564 173.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.41 -162.09 54.46 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.039 1.304 . . . . 0.0 114.508 174.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 15.6 p80 -149.95 158.48 44.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.505 1.922 . . . . 0.0 111.517 -173.384 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -81.96 -15.03 55.18 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -81.47 100.83 9.53 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.247 1.019 . . . . 0.0 111.782 177.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.7 p -132.34 83.72 54.1 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 124.604 1.162 . . . . 0.0 108.48 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo . . . . . 0 CA--C 1.542 0.913 0 C-N-CA 123.764 2.976 . . . . 0.0 112.244 -164.568 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.31 -36.33 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.1 0.56 . . . . 0.0 110.774 -175.452 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.51 -54.22 26.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.247 0.619 . . . . 0.0 109.952 178.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.12 -38.05 81.8 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -76.71 -22.66 53.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.015 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -92.44 -22.75 19.44 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.797 1.181 . . . . 0.0 113.163 178.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -97.21 -18.76 19.05 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.911 1.284 . . . . 0.0 113.956 175.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -141.67 176.83 8.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.801 1.24 . . . . 0.0 112.041 175.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.31 133.06 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.804 -1.185 . . . . 0.0 111.16 -177.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 m -117.62 148.3 42.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.897 0.879 . . . . 0.0 111.919 163.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 m -150.01 160.81 43.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.038 1.735 . . . . 0.0 110.217 -168.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -48.45 -44.51 35.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.29 -22.48 61.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -87.0 -42.69 12.91 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.523 1.129 . . . . 0.0 110.166 171.244 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.93 -31.53 71.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.951 1.3 . . . . 0.0 113.33 178.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.9 -26.62 64.47 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.993 0.917 . . . . 0.0 112.855 177.477 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -64.56 -17.1 63.64 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.401 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -106.53 6.91 30.55 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 0.0 112.645 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.66 141.14 49.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.841 1.257 . . . . 0.0 111.416 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.537 -0.727 . . . . 0.0 111.481 174.989 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.08 157.8 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.111 1.764 . . . . 0.0 110.528 174.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -53.24 129.85 32.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 113.217 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -176.4 -172.72 0.49 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.753 2.421 . . . . 0.0 109.105 -174.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.78 117.51 19.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.541 0.737 . . . . 0.0 110.55 169.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.17 117.91 35.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.748 2.019 . . . . 0.0 110.04 -178.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 29.2 m -131.19 127.23 37.51 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.011 1.324 . . . . 0.0 110.019 -177.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -115.42 7.75 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 123.77 0.7 . . . . 0.0 113.489 171.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.7 p -53.84 -51.08 64.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.562 1.145 . . . . 0.0 112.428 178.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -53.02 -40.8 64.14 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.028 -1.045 . . . . 0.0 113.081 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.27 -46.3 74.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.511 0.724 . . . . 0.0 111.187 176.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.2 t -61.68 -44.63 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.896 0.771 . . . . 0.0 112.149 176.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.04 -46.92 87.01 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.946 1.298 . . . . 0.0 110.982 178.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.52 78.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.777 0.831 . . . . 0.0 112.143 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.66 -41.86 77.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.505 0.722 . . . . 0.0 111.656 176.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.93 -40.73 91.66 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 173.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.32 -35.97 80.52 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.519 1.054 . . . . 0.0 112.384 177.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.6 -56.19 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.441 1.096 . . . . 0.0 111.156 174.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.4 t -77.56 -25.0 49.72 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.8 -158.39 42.8 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.369 1.462 . . . . 0.0 112.88 -176.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.84 -7.88 9.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.162 1.385 . . . . 0.0 114.058 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -58.4 -30.34 66.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.421 1.488 . . . . 0.0 112.869 170.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.23 -176.34 41.26 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.721 1.153 . . . . 0.0 112.815 -173.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -146.31 158.79 43.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.585 1.154 . . . . 0.0 111.727 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -79.06 -13.58 59.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -174.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -81.74 83.26 7.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.325 -0.859 . . . . 0.0 111.565 171.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -113.85 89.29 15.91 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 124.733 1.213 . . . . 0.0 109.742 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo . . . . . 0 C--N 1.352 0.717 0 C-N-CA 123.687 2.925 . . . . 0.0 112.176 -176.521 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.18 -22.54 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.718 1.607 . . . . 0.0 111.991 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.79 -15.48 63.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.267 1.027 . . . . 0.0 112.878 176.245 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.3 -45.81 1.0 Allowed 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.427 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -80.76 -33.12 35.26 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.49 1.495 . . . . 0.0 113.216 -171.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -86.69 106.0 17.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.169 0.988 . . . . 0.0 110.24 167.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -122.61 109.08 13.84 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.37 3.068 . . . . 0.0 107.88 -4.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -162.71 178.75 8.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.349 1.459 . . . . 0.0 111.175 -174.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.83 125.13 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.521 -0.737 . . . . 0.0 109.877 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.86 148.1 52.59 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.453 1.101 . . . . 0.0 110.814 165.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -138.19 164.3 29.53 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.309 1.444 . . . . 0.0 110.99 -168.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.65 -45.42 13.98 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -170.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -72.27 -21.22 61.4 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -88.57 -45.13 10.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.473 1.109 . . . . 0.0 109.907 170.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.33 -31.76 72.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.321 1.448 . . . . 0.0 113.444 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.86 -27.77 66.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.095 0.958 . . . . 0.0 112.911 177.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.04 -17.27 62.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.217 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -107.3 7.59 29.33 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.054 1.342 . . . . 0.0 112.206 175.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.66 142.33 51.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.87 0.868 . . . . 0.0 110.619 171.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -167.893 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.1 t -134.29 147.57 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.583 1.953 . . . . 0.0 108.222 176.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -49.42 124.22 8.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.479 1.112 . . . . 0.0 112.9 178.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -168.45 174.66 6.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.068 2.147 . . . . 0.0 108.828 -172.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -72.28 98.99 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.905 -0.497 . . . . 0.0 111.79 178.231 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.06 162.48 19.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.586 1.154 . . . . 0.0 111.521 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 27.0 t -176.73 160.07 1.89 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.481 2.312 . . . . 0.0 109.573 157.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.64 -126.53 42.49 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 123.961 0.791 . . . . 0.0 113.151 169.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -52.61 -46.79 67.17 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.361 1.064 . . . . 0.0 112.434 176.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -35.0 73.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.575 -1.328 . . . . 0.0 113.047 177.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -73.46 -37.87 65.64 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.664 0.786 . . . . 0.0 111.582 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.88 -44.48 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.597 0.759 . . . . 0.0 111.442 169.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.32 -45.95 90.93 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.883 1.273 . . . . 0.0 111.01 177.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.27 69.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.807 0.843 . . . . 0.0 111.524 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.92 -42.82 80.68 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.942 0.497 . . . . 0.0 111.927 176.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.6 -44.4 97.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.641 0.776 . . . . 0.0 112.197 174.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.76 -31.54 69.55 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.311 -0.868 . . . . 0.0 112.778 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.03 -54.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.177 0.991 . . . . 0.0 111.59 172.253 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -73.37 -30.03 63.02 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.483 1.113 . . . . 0.0 113.949 -171.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 -160.02 16.94 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.778 1.656 . . . . 0.0 112.964 -178.006 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.02 -17.6 64.99 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.816 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -69.27 132.94 47.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.812 1.645 . . . . 0.0 111.53 170.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.62 117.45 4.41 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.299 0.952 . . . . 0.0 112.873 -173.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -65.56 160.48 22.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.809 1.244 . . . . 0.0 113.634 172.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -86.28 -9.31 56.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -173.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.14 -40.92 95.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.9 p -20.72 99.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 128.443 2.697 . . . . 0.0 113.751 -167.061 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo . . . . . 0 C--N 1.353 0.768 0 C-N-CA 123.658 2.905 . . . . 0.0 112.545 -164.065 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.12 -31.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.857 1.263 . . . . 0.0 110.849 -177.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.18 -19.63 61.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.404 1.882 . . . . 0.0 113.047 174.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -104.88 -55.24 2.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.812 1.245 . . . . 0.0 110.19 171.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.3 m -63.0 -30.44 71.6 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -172.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.6 -13.46 51.58 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.055 -1.028 . . . . 0.0 113.15 174.65 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.7 m -102.31 -34.59 9.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.601 1.96 . . . . 0.0 111.889 -173.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -145.51 177.67 8.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.817 . . . . 0.0 111.624 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.19 133.09 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.042 -1.036 . . . . 0.0 110.275 177.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.39 127.2 37.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.847 0.832 . . . . 0.0 112.523 166.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.7 m -121.2 174.77 6.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.676 1.591 . . . . 0.0 112.225 -171.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.66 -47.5 3.96 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -176.268 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -70.96 -24.31 62.39 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.71 -45.33 14.58 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.676 1.19 . . . . 0.0 109.206 170.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.84 -32.63 72.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.65 1.58 . . . . 0.0 113.352 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.81 -26.63 64.29 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.774 0.829 . . . . 0.0 112.878 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -64.51 -17.19 63.67 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 176.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -107.7 6.6 27.84 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.124 1.369 . . . . 0.0 112.542 176.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.41 139.0 49.57 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.74 1.216 . . . . 0.0 111.103 175.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 111.451 175.868 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.96 145.21 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.128 1.371 . . . . 0.0 110.916 -177.532 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.2 98.76 1.76 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.878 1.271 . . . . 0.0 110.074 172.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -156.34 -174.75 5.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 -172.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -80.9 70.16 7.64 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.239 1.416 . . . . 0.0 111.663 -177.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.89 121.11 8.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.143 1.377 . . . . 0.0 111.701 -171.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -164.18 -110.72 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.25 107.72 3.58 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.368 1.461 . . . . 0.0 112.185 -178.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -111.51 126.36 54.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.869 2.868 . . . . 0.0 110.152 -10.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -176.49 -159.5 0.06 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.169 2.588 . . . . 0.0 110.76 -167.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp 75.79 -50.05 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.212 3.005 . . . . 0.0 112.214 166.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.0 -47.72 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.119 1.367 . . . . 0.0 110.841 167.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.87 -37.77 82.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.29 0.636 . . . . 0.0 112.166 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.59 75.79 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.556 -0.715 . . . . 0.0 111.94 172.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.3 mt -57.7 -42.12 83.05 Favored 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 123.839 0.856 . . . . 0.0 111.905 176.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -63.43 -43.02 98.65 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.845 0.748 . . . . 0.0 112.458 173.367 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.77 -32.89 72.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.06 0.845 . . . . 0.0 112.519 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -72.33 -56.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 172.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.42 -25.57 46.09 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -169.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.12 -158.09 41.8 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.402 1.477 . . . . 0.0 113.047 -176.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.39 -14.04 16.63 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.814 1.646 . . . . 0.0 113.781 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -55.75 -31.14 62.29 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.781 1.632 . . . . 0.0 113.346 173.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.28 -173.66 48.49 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.69 1.138 . . . . 0.0 113.043 -174.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 28.0 p80 -152.61 161.36 42.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.524 1.13 . . . . 0.0 112.228 -176.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -86.91 -11.64 50.06 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -81.45 82.16 7.34 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.357 0.98 . . . . 0.0 111.209 170.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -113.41 89.3 14.66 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 124.854 1.262 . . . . 0.0 109.069 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.351 0.71 0 C-N-CA 123.655 2.903 . . . . 0.0 111.973 -174.324 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.4 tt -49.41 -41.0 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.999 1.72 . . . . 0.0 114.568 -171.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.28 -28.45 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.398 1.479 . . . . 0.0 111.977 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.39 -15.01 62.35 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.613 1.165 . . . . 0.0 113.073 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -119.18 -46.91 2.5 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.605 1.162 . . . . 0.0 111.645 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.8 m -100.95 3.27 41.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -164.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.93 -21.24 13.66 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 158.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -93.78 -31.58 14.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.402 1.881 . . . . 0.0 112.476 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -143.83 -158.78 0.91 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.229 2.212 . . . . 0.0 110.076 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.53 126.36 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 124.57 1.148 . . . . 0.0 111.884 -168.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 134.77 34.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.266 0.626 . . . . 0.0 109.605 159.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 162.32 23.36 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.492 1.117 . . . . 0.0 110.282 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -46.77 -43.67 18.38 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -72.87 -23.43 60.73 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -86.57 -43.51 12.63 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.259 1.024 . . . . 0.0 110.218 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.51 -36.85 69.66 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.614 1.565 . . . . 0.0 112.634 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.26 -27.5 67.29 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -63.67 -19.82 65.21 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.157 -0.964 . . . . 0.0 113.554 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -104.76 4.67 32.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.727 1.211 . . . . 0.0 112.025 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.08 146.39 53.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.051 0.94 . . . . 0.0 110.27 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.163 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.59 144.65 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.078 1.751 . . . . 0.0 108.982 177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -53.36 121.63 8.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.07 1.348 . . . . 0.0 111.931 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -164.73 178.14 7.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.922 1.689 . . . . 0.0 110.243 -172.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.81 71.74 1.5 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.248 1.019 . . . . 0.0 111.952 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.64 167.2 2.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.277 1.831 . . . . 0.0 111.721 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.9 t -177.41 153.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.801 2.44 . . . . 0.0 110.208 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.61 -123.69 34.05 Favored Glycine 0 N--CA 1.469 0.883 0 C-N-CA 124.046 0.832 . . . . 0.0 113.318 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -54.42 -48.96 71.04 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.71 1.204 . . . . 0.0 112.584 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.42 -35.64 72.39 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.619 -1.301 . . . . 0.0 112.47 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -43.49 67.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.296 1.038 . . . . 0.0 110.501 176.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.14 -43.0 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 0.0 111.856 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -63.82 -46.07 86.75 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.827 1.251 . . . . 0.0 111.184 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.32 78.02 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.008 0.923 . . . . 0.0 111.354 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.2 mt -56.34 -44.54 80.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 175.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.05 -42.25 99.68 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.636 0.653 . . . . 0.0 112.413 175.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.1 -32.38 71.75 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.393 -0.817 . . . . 0.0 112.654 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.64 -56.48 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.343 1.057 . . . . 0.0 111.571 172.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -74.25 -26.07 60.01 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.651 1.18 . . . . 0.0 113.957 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.86 -161.6 38.37 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.785 1.659 . . . . 0.0 113.087 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.05 -16.79 20.6 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.626 1.571 . . . . 0.0 113.662 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -49.25 -46.37 45.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.457 1.903 . . . . 0.0 113.664 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.94 169.89 46.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.052 0.834 . . . . 0.0 113.571 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 31.6 p80 -144.05 162.51 36.04 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.73 1.612 . . . . 0.0 112.661 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -88.29 -19.52 26.64 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -79.5 104.76 10.33 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.542 1.064 . . . . 0.0 111.085 174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -135.85 100.0 11.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.54 1.136 . . . . 0.0 108.314 173.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.85 163.05 29.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.91 3.073 . . . . 0.0 112.198 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -71.74 135.29 46.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.97 0.508 . . . . 0.0 111.886 167.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.048 1.739 . . . . 0.0 113.078 174.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.57 -35.44 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -170.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -28.24 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.165 0.986 . . . . 0.0 111.796 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -78.46 -46.28 20.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.523 0.729 . . . . 0.0 110.791 169.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 20.4 pt20 -159.27 120.35 3.25 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.274 1.03 . . . . 0.0 111.519 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -89.29 117.01 27.93 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 128.212 2.605 . . . . 0.0 114.287 -10.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.66 134.82 34.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.112 1.765 . . . . 0.0 107.398 155.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.429 ' H ' ' HB2' ' B' ' 7' ' ' CYS . 6.7 m 65.83 47.26 2.1 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.302 1.841 . . . . 0.0 108.901 -170.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -154.68 157.95 38.88 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.047 1.739 . . . . 0.0 109.775 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -62.51 -34.15 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.145 0.978 . . . . 0.0 112.511 -172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.9 t 51.01 63.73 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.336 1.454 . . . . 0.0 113.108 162.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -70.66 163.59 26.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.26 -42.68 31.26 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.86 1.664 . . . . 0.0 115.485 -173.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -72.02 -23.71 61.44 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.439 -0.788 . . . . 0.0 113.052 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -85.78 -39.49 17.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.389 1.076 . . . . 0.0 110.737 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.06 -35.64 71.64 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.561 1.144 . . . . 0.0 112.798 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.1 -26.06 65.92 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.14 -21.32 66.12 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.11 -0.994 . . . . 0.0 113.602 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -106.6 9.17 31.47 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.098 1.359 . . . . 0.0 112.132 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.2 t -75.73 149.6 38.0 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.065 0.946 . . . . 0.0 111.74 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.156 0.982 . . . . 0.0 111.583 172.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.5 p90 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -125.61 150.47 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.319 1.847 . . . . 0.0 109.095 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -57.97 112.37 1.48 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.76 0.791 . . . . 0.0 111.165 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -174.11 153.51 2.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.605 1.962 . . . . 0.0 107.186 -161.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -65.75 104.24 1.03 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.312 0.96 . . . . 0.0 112.242 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.7 139.62 30.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.563 1.145 . . . . 0.0 111.104 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 8' ' ' THR . 8.3 t -164.09 147.24 9.51 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 109.916 166.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.06 31.01 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 118.638 0.653 . . . . 0.0 112.108 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -52.93 -53.3 51.54 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.537 1.135 . . . . 0.0 112.811 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -47.61 -44.75 26.87 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.236 1.414 . . . . 0.0 113.117 173.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.6 -43.09 66.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.56 1.144 . . . . 0.0 111.36 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.92 -45.42 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.236 1.014 . . . . 0.0 111.965 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.48 -45.21 94.04 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.449 1.099 . . . . 0.0 111.083 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.58 74.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.754 0.822 . . . . 0.0 111.978 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.6 mt -55.87 -44.22 77.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.815 0.846 . . . . 0.0 112.142 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' B' ' 21' ' ' GLU . 48.2 t80 -62.97 -38.55 91.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.888 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.43 -45.47 69.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.852 0.861 . . . . 0.0 112.185 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.55 -50.23 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.286 1.034 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.3 t -68.45 -20.04 64.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.926 0.89 . . . . 0.0 112.835 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.17 46.75 4.04 Favored Glycine 0 N--CA 1.47 0.951 0 C-N-CA 124.819 1.2 . . . . 0.0 113.112 162.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.41 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 31.0 mt-10 76.26 -3.31 2.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.318 2.247 . . . . 0.0 113.299 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -95.91 -13.29 24.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.124 2.17 . . . . 0.0 113.804 -173.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 162.64 27.17 Favored Glycine 0 C--N 1.337 0.618 0 C-N-CA 125.627 1.584 . . . . 0.0 111.466 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -167.8 169.38 11.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 130.574 3.55 . . . . 0.0 110.738 3.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -76.6 -17.42 59.21 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -83.24 85.2 7.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.116 0.871 . . . . 0.0 111.651 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.1 p -114.44 86.54 12.46 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.291 1.036 . . . . 0.0 109.563 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.43 165.51 32.29 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.288 3.326 . . . . 0.0 111.99 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -79.18 23.02 0.39 Allowed 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 127.303 2.241 . . . . 0.0 112.33 -179.343 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 121.171 0.317 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt -86.97 -52.27 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.348 1.059 . . . . 0.0 113.756 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.95 -27.29 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 O-C-N 121.368 -0.832 . . . . 0.0 112.651 -168.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.02 -15.13 63.53 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -94.8 -57.69 2.38 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.206 1.002 . . . . 0.0 109.795 173.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.79 -24.15 64.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.67 87.98 2.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.94 1.296 . . . . 0.0 110.042 168.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.5 p -117.8 117.78 30.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 129.72 3.208 . . . . 0.0 111.722 4.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 t -162.33 164.83 27.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.736 2.014 . . . . 0.0 110.48 168.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.77 -25.38 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -163.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.1 m 26.2 75.92 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.526 2.33 . . . . 0.0 115.08 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -77.04 170.03 17.27 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.14 -43.83 31.64 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -73.05 -22.52 60.61 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -83.02 -44.77 14.84 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.284 1.433 . . . . 0.0 109.66 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.2 -32.08 72.69 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.456 1.502 . . . . 0.0 113.58 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.73 -26.07 65.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.311 0.644 . . . . 0.0 112.718 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -63.5 -17.19 62.5 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 2' ' ' ILE . 7.1 m-85 -107.73 7.48 28.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.023 1.329 . . . . 0.0 112.611 177.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.08 139.92 48.68 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.856 1.263 . . . . 0.0 111.299 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 121.549 -0.719 . . . . 0.0 111.489 176.186 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.2 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.7 t 74.39 141.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 128.201 2.6 . . . . 0.0 111.653 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -70.24 109.85 4.9 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.05 0.94 . . . . 0.0 110.097 173.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -165.37 175.09 9.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.368 1.867 . . . . 0.0 109.7 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.81 128.53 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.261 -0.899 . . . . 0.0 111.433 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.7 tt -146.51 102.5 3.58 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.116 0.96 . . . . 0.0 110.799 -145.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -121.54 142.85 49.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.34 1.456 . . . . 0.0 112.264 -166.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -115.17 5.35 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 124.531 1.062 . . . . 0.0 114.109 163.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -53.01 -48.01 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.989 0.916 . . . . 0.0 112.097 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -56.94 -38.75 73.35 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.942 -1.099 . . . . 0.0 112.335 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.24 -43.56 81.64 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.889 0.876 . . . . 0.0 111.692 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.42 -46.16 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.431 1.014 . . . . 0.0 111.726 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -61.15 -46.41 90.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.795 1.238 . . . . 0.0 110.904 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.44 66.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.753 1.221 . . . . 0.0 111.996 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -56.04 -42.1 76.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.24 0.616 . . . . 0.0 111.583 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.4 -42.61 92.42 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.35 -36.14 82.15 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.534 1.061 . . . . 0.0 112.443 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.73 -53.83 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.157 0.983 . . . . 0.0 111.249 174.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -76.79 -30.04 56.27 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -171.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.11 -161.4 41.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.047 1.308 . . . . 0.0 112.587 -172.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.4 -11.11 9.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.1 -31.67 71.35 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.15 1.38 . . . . 0.0 112.794 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.58 -171.46 53.22 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.814 1.197 . . . . 0.0 113.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -145.85 155.15 42.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.407 1.083 . . . . 0.0 112.58 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -81.62 -9.79 59.58 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.73 -39.13 90.82 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.7 p -19.86 99.04 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.378 2.671 . . . . 0.0 113.864 -167.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.73 147.41 39.88 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 123.653 2.902 . . . . 0.0 111.696 -164.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.51 12.84 28.05 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.551 1.14 . . . . 0.0 113.995 -174.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.146 1.779 . . . . 0.0 112.86 -162.308 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.436 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -47.44 -51.0 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.27 1.428 . . . . 0.0 114.844 -164.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -73.18 -20.77 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.564 0.745 . . . . 0.0 112.954 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.73 -17.37 59.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.037 0.935 . . . . 0.0 111.791 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -106.51 -61.46 1.52 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.558 1.543 . . . . 0.0 109.821 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -66.01 -32.19 73.52 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -77.14 -14.18 59.83 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.846 -1.159 . . . . 0.0 112.367 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.4 m -104.55 -33.25 8.6 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.705 2.002 . . . . 0.0 111.974 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -144.73 160.56 41.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.808 1.643 . . . . 0.0 111.827 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.8 131.62 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.91 -1.119 . . . . 0.0 110.146 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.21 161.06 35.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.099 0.96 . . . . 0.0 112.555 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -147.55 171.27 15.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.268 1.027 . . . . 0.0 112.654 -163.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.22 -44.18 10.84 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.486 1.914 . . . . 0.0 115.645 -173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -72.34 -22.84 61.11 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -86.47 -42.31 13.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.315 1.046 . . . . 0.0 109.971 170.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.6 -32.45 72.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.827 1.251 . . . . 0.0 113.414 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.19 -25.66 64.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.96 0.904 . . . . 0.0 112.921 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.96 -16.67 62.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -109.56 8.35 25.03 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.226 1.41 . . . . 0.0 112.462 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.91 142.66 38.27 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.047 1.339 . . . . 0.0 111.718 176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 123.844 0.858 . . . . 0.0 112.251 176.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 CA--C 1.55 0.961 0 CA-C-O 121.49 0.662 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 137.54 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.039 0.936 . . . . 0.0 108.653 162.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -51.7 128.04 22.34 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.26 178.26 2.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.487 2.315 . . . . 0.0 109.192 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.13 68.67 5.16 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.202 1.001 . . . . 0.0 111.923 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -43.52 117.46 1.14 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.434 2.294 . . . . 0.0 112.779 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -135.14 -142.58 0.19 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.978 0.911 . . . . 0.0 110.5 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.38 130.41 9.84 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-N 119.809 1.186 . . . . 0.0 111.181 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -88.34 -7.28 56.94 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.029 2.932 . . . . 0.0 113.926 -3.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -41.94 -40.91 2.32 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.28 2.232 . . . . 0.0 114.974 -170.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.29 -38.26 76.65 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 124.75 1.22 . . . . 0.0 113.195 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.62 -39.89 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.954 0.797 . . . . 0.0 110.018 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.57 -48.26 75.66 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.86 1.264 . . . . 0.0 110.648 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.68 -50.49 70.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.81 1.244 . . . . 0.0 112.06 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.01 -39.16 84.83 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.656 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.05 -43.48 98.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.14 0.882 . . . . 0.0 112.474 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -70.13 -34.02 72.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.955 0.798 . . . . 0.0 112.616 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.69 -54.68 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.46 1.104 . . . . 0.0 111.201 172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -79.92 -35.45 37.81 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -168.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -169.26 27.86 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.646 1.593 . . . . 0.0 113.833 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.67 -14.41 51.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.52 1.528 . . . . 0.0 114.598 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -66.65 -13.35 61.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.123 1.369 . . . . 0.0 114.239 171.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.11 -167.8 54.47 Favored Glycine 0 N--CA 1.47 0.955 0 C-N-CA 124.812 1.196 . . . . 0.0 113.922 172.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -151.77 153.49 34.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.001 1.321 . . . . 0.0 112.285 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -81.91 -10.81 59.17 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -64.32 -34.29 77.79 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.4 p -23.68 102.82 0.1 OUTLIER Pre-proline 0 N--CA 1.486 1.334 0 C-N-CA 128.049 2.54 . . . . 0.0 113.551 -167.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.73 159.88 34.78 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.508 2.805 . . . . 0.0 112.369 -161.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -153.76 137.29 15.93 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.043 1.337 . . . . 0.0 111.493 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.115 1.766 . . . . 0.0 112.569 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 CA-C-O 121.242 0.357 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 tt -74.51 -39.45 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.7 t -67.31 -36.99 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.597 0.759 . . . . 0.0 109.958 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.61 -3.97 7.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.908 1.683 . . . . 0.0 113.563 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -119.27 -60.11 1.77 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.871 1.268 . . . . 0.0 110.537 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 m -74.5 -29.26 61.35 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.06 -22.32 42.43 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.489 -0.757 . . . . 0.0 112.294 171.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -89.95 -38.13 13.88 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.356 1.863 . . . . 0.0 112.423 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -148.5 -169.73 3.43 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.552 1.541 . . . . 0.0 112.001 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -61.25 126.29 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.62 1.168 . . . . 0.0 111.394 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -103.52 144.28 31.61 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.413 1.885 . . . . 0.0 110.914 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -153.26 152.1 30.79 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.9 0.88 . . . . 0.0 112.015 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.94 -43.89 60.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -73.54 -22.34 60.12 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.78 -45.08 13.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.513 1.125 . . . . 0.0 109.784 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -55.75 -35.82 66.61 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.994 1.718 . . . . 0.0 113.198 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.18 -26.64 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -64.39 -16.98 63.31 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -109.19 9.84 25.95 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.32 1.448 . . . . 0.0 111.727 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -75.19 155.35 36.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.735 0.814 . . . . 0.0 110.911 166.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--O 1.24 0.605 0 O-C-N 121.34 -0.85 . . . . 0.0 112.176 -178.738 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.2 p90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.8 t 65.3 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.935 2.094 . . . . 0.0 110.574 174.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -143.23 110.82 5.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.125 1.77 . . . . 0.0 109.174 176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -167.24 169.49 12.5 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.85 1.26 . . . . 0.0 111.323 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -66.08 133.62 51.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 110.635 169.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -151.75 120.49 6.55 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.474 -0.766 . . . . 0.0 110.755 -160.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 t -155.06 146.31 22.86 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.21 -0.932 . . . . 0.0 113.049 -166.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -127.09 29.74 Favored Glycine 0 N--CA 1.471 1.017 0 C-N-CA 124.181 0.895 . . . . 0.0 112.294 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.27 -48.29 68.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.096 0.958 . . . . 0.0 112.177 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -55.22 -36.69 66.25 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 120.959 -1.088 . . . . 0.0 112.969 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.46 -37.51 60.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.03 0.932 . . . . 0.0 112.021 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.12 -45.92 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.821 0.848 . . . . 0.0 111.297 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.98 -44.06 97.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.003 1.321 . . . . 0.0 111.189 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -48.87 70.84 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.008 0.923 . . . . 0.0 112.453 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -58.28 -41.32 84.11 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.354 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.17 -41.41 96.73 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.783 0.72 . . . . 0.0 112.253 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -65.88 -42.96 89.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.731 0.812 . . . . 0.0 112.136 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -73.16 -50.44 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.648 1.179 . . . . 0.0 111.686 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.7 t -78.34 -33.72 48.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.948 1.299 . . . . 0.0 114.051 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.52 -171.04 27.43 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.201 1.381 . . . . 0.0 112.648 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -83.09 35.3 0.48 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.518 1.527 . . . . 0.0 113.392 -170.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -64.89 -53.14 51.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.735 1.214 . . . . 0.0 114.22 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.53 168.43 21.73 Favored Glycine 0 N--CA 1.475 1.273 1 C-N-CA 131.249 4.261 . . . . 0.0 112.368 -9.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -59.77 160.78 7.04 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -86.7 -9.37 56.1 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -64.51 -39.32 93.56 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.4 p -20.93 100.13 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.304 0 C-N-CA 128.414 2.685 . . . . 0.0 113.727 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.61 -18.64 13.48 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 123.453 2.769 . . . . 0.0 113.795 -162.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -68.04 113.8 6.03 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.697 0.799 . . . . 0.0 111.896 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.971 1.709 . . . . 0.0 113.211 175.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 112.151 -0.379 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -81.32 -49.44 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.613 1.165 . . . . 0.0 114.065 -171.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.1 -20.38 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 118.943 0.792 . . . . 0.0 112.522 -168.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.12 -21.55 66.81 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.806 1.242 . . . . 0.0 112.595 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -92.1 -57.87 2.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.751 0.705 . . . . 0.0 109.259 159.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.7 m -77.92 47.6 0.65 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.049 1.34 . . . . 0.0 114.568 -170.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.7 t -155.8 -34.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.322 1.849 . . . . 0.0 110.34 158.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -73.23 -36.87 66.51 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 127.423 2.289 . . . . 0.0 112.745 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -151.26 179.63 8.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.08 1.352 . . . . 0.0 112.246 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.81 134.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.788 1.235 . . . . 0.0 112.045 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.3 m -119.97 156.46 30.8 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.815 1.246 . . . . 0.0 111.187 160.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -146.78 155.49 42.42 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.78 1.232 . . . . 0.0 110.119 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.39 -43.05 61.81 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -73.55 -23.81 60.03 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.39 -44.34 16.23 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.852 1.261 . . . . 0.0 109.629 173.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.51 -29.75 70.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.271 1.429 . . . . 0.0 113.175 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 28.6 tt0 -58.71 -26.98 64.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -63.94 -16.25 61.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -106.48 5.84 29.65 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 112.818 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 83.9 m -72.09 149.66 44.6 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.448 -0.782 . . . . 0.0 112.166 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.566 0.746 . . . . 0.0 111.782 176.5 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.1 p90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.24 151.24 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.179 1.392 . . . . 0.0 109.508 172.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -46.74 121.99 3.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.439 1.496 . . . . 0.0 111.833 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.43 172.66 16.1 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.981 1.312 . . . . 0.0 110.737 -168.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.62 -34.49 69.87 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt 58.14 -167.6 0.14 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.076 1.75 . . . . 0.0 111.033 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t 179.31 -168.16 0.09 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 129.384 3.074 . . . . 0.0 109.052 165.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.84 134.95 13.9 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 120.827 -1.171 . . . . 0.0 110.663 165.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m -87.52 -9.65 53.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.84 2.856 . . . . 0.0 114.342 -0.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -42.32 -38.54 1.85 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.382 -175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.82 -32.87 71.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.389 1.876 . . . . 0.0 113.332 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 98.6 t -67.95 -40.42 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.195 0.998 . . . . 0.0 110.585 174.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.96 -43.91 74.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.148 . . . . 0.0 110.671 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.46 64.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.402 1.081 . . . . 0.0 111.087 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 32.3 mt -55.02 -48.09 73.84 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.802 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -57.72 -41.51 81.93 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.144 1.338 . . . . 0.0 113.046 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -69.82 -31.01 68.67 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.353 -0.842 . . . . 0.0 112.607 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.85 -55.97 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.665 1.186 . . . . 0.0 111.203 171.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.2 m -76.17 -23.94 54.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.625 1.97 . . . . 0.0 114.782 -169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -163.83 54.66 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.532 1.063 . . . . 0.0 112.618 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -7.96 15.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -63.04 -31.93 73.18 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.098 0.959 . . . . 0.0 111.953 167.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.34 -166.29 53.53 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 125.214 1.387 . . . . 0.0 114.295 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 19.5 p80 -149.95 159.66 44.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.41 1.884 . . . . 0.0 111.911 -174.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -89.2 -8.35 53.75 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -63.54 -38.97 93.14 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.8 p -15.83 95.48 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.289 0 C-N-CA 129.0 2.92 . . . . 0.0 113.742 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.73 156.51 44.23 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.746 2.964 . . . . 0.0 112.32 -163.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -70.96 123.22 21.53 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.566 0.746 . . . . 0.0 111.414 174.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.897 1.679 . . . . 0.0 113.174 177.226 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 CA-C-O 120.984 0.213 . . . . 0.0 112.836 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tp -65.24 -22.99 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 C-N-CA 126.181 1.792 . . . . 0.0 114.42 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.4 -0.59 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 O-C-N 120.635 -1.291 . . . . 0.0 113.196 171.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -118.94 -67.07 1.01 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.062 1.745 . . . . 0.0 109.708 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.0 125.22 24.23 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.405 -0.81 . . . . 0.0 109.556 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.3 m 75.58 -15.48 0.68 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.998 2.119 . . . . 0.0 114.062 -172.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -63.62 1.29 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.796 1.238 . . . . 0.0 110.862 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.7 p -99.42 15.86 25.02 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.352 1.861 . . . . 0.0 112.66 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 t -148.54 168.24 23.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.802 1.641 . . . . 0.0 110.234 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -85.78 134.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.363 1.065 . . . . 0.0 111.608 -170.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.2 m -137.93 156.16 48.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.821 1.248 . . . . 0.0 113.118 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.0 m -115.45 178.67 4.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.236 1.814 . . . . 0.0 111.96 169.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -50.42 -42.72 54.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.53 1.532 . . . . 0.0 115.049 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -72.61 -22.89 60.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.79 -45.15 15.99 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.755 1.222 . . . . 0.0 109.499 171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.5 -32.26 72.28 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 113.136 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.39 -25.65 64.46 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -63.15 -16.39 59.89 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -106.75 6.68 29.85 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.848 1.259 . . . . 0.0 112.318 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -75.71 167.16 22.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.614 0.766 . . . . 0.0 112.44 172.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 124.301 1.041 . . . . 0.0 112.66 179.664 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.89 157.6 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.693 1.597 . . . . 0.0 111.313 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 36.5 m120 -57.11 130.17 44.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.999 1.32 . . . . 0.0 113.368 -174.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -177.0 179.48 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.087 2.555 . . . . 0.0 109.018 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -76.03 61.56 1.54 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.55 1.14 . . . . 0.0 111.302 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.22 103.26 3.88 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.412 2.285 . . . . 0.0 109.554 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -136.27 -107.7 0.2 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -158.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.31 111.78 4.32 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.179 1.371 . . . . 0.0 112.716 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -111.59 95.42 5.49 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.006 2.922 . . . . 0.0 109.737 -11.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -138.2 -37.76 0.56 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.778 2.031 . . . . 0.0 111.628 -171.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.5 -38.12 88.65 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.537 1.135 . . . . 0.0 110.887 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.04 -40.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 125.002 1.321 . . . . 0.0 111.59 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.55 -40.62 69.9 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.408 1.083 . . . . 0.0 111.163 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.24 76.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.499 1.12 . . . . 0.0 111.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.7 mt -55.19 -50.29 69.72 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.694 0.798 . . . . 0.0 110.617 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -55.37 -39.51 70.18 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.432 1.014 . . . . 0.0 113.159 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.47 -40.28 77.2 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.689 0.795 . . . . 0.0 112.81 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.29 -56.61 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.123 1.369 . . . . 0.0 111.389 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.69 -32.0 72.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.622 1.969 . . . . 0.0 112.844 -177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.89 -47.3 3.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.671 1.605 . . . . 0.0 114.701 167.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -136.62 157.4 46.86 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.124 1.769 . . . . 0.0 110.272 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 65.92 165.43 0.18 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.718 2.407 . . . . 0.0 113.412 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.82 112.01 3.88 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 27.4 p80 -61.13 158.88 12.9 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.979 0.911 . . . . 0.0 112.434 171.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -72.54 -17.12 61.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -84.06 80.93 9.01 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.947 0.88 . . . . 0.0 112.086 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -113.68 87.03 11.4 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 124.968 1.307 . . . . 0.0 109.014 171.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -73.95 161.49 41.16 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.92 3.08 . . . . 0.0 112.159 -173.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -73.71 136.81 43.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.139 0.576 . . . . 0.0 111.917 167.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.853 1.661 . . . . 0.0 112.358 174.696 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 CA-C-O 121.117 0.287 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -70.19 -43.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.382 1.073 . . . . 0.0 113.458 -174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.85 -19.86 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 125.141 1.376 . . . . 0.0 112.777 -175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -82.95 -6.61 59.54 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.31 1.444 . . . . 0.0 113.192 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -140.85 -41.46 0.4 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -174.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -78.65 -15.36 58.59 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.749 -1.219 . . . . 0.0 113.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.2 m -80.98 -23.16 38.93 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.133 0.973 . . . . 0.0 113.545 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.4 p -111.34 -20.24 12.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.265 1.426 . . . . 0.0 113.677 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -139.92 -179.83 6.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.989 1.316 . . . . 0.0 112.451 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -62.14 133.65 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.68 1.192 . . . . 0.0 110.173 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.5 m -125.93 159.14 33.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 122.245 1.021 . . . . 0.0 111.751 162.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 m -167.65 168.84 12.34 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.941 2.096 . . . . 0.0 108.872 -165.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.28 -49.46 3.68 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.156 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -69.47 -22.35 63.63 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -86.36 -44.9 11.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.791 1.236 . . . . 0.0 109.763 170.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.55 -30.5 69.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.427 1.491 . . . . 0.0 113.642 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.98 -27.18 66.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.49 1.116 . . . . 0.0 112.763 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -62.91 -18.34 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -107.44 4.7 26.53 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.055 1.342 . . . . 0.0 112.476 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.24 138.93 47.83 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.472 0.67 0 O-C-N 121.496 -0.753 . . . . 0.0 111.72 178.184 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t 79.75 148.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 128.503 2.721 . . . . 0.0 112.2 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.41 91.62 0.41 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.418 1.487 . . . . 0.0 109.952 168.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -155.53 178.18 10.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.228 1.011 . . . . 0.0 112.004 -172.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -71.16 125.52 27.15 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.796 0.838 . . . . 0.0 110.316 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -97.39 -164.31 1.13 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.937 1.295 . . . . 0.0 109.336 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 156.47 158.14 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 131.672 3.989 . . . . 0.0 111.002 163.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.54 -121.71 26.91 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.036 0.826 . . . . 0.0 113.13 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.8 p -71.33 -32.97 69.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.457 1.103 . . . . 0.0 113.224 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -55.43 -35.27 65.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.743 1.217 . . . . 0.0 112.027 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.51 -41.84 90.86 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 124.561 1.144 . . . . 0.0 111.998 173.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -70.49 -43.48 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.403 0.681 . . . . 0.0 110.246 -171.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -37.61 75.66 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.305 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -53.0 62.31 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.307 0.958 . . . . 0.0 111.191 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 38.5 mt -55.12 -43.85 74.49 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.39 1.076 . . . . 0.0 111.976 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -64.16 -43.4 95.28 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.599 0.636 . . . . 0.0 112.67 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.87 -37.04 85.93 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.466 1.03 . . . . 0.0 112.317 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.27 -53.98 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 123.963 0.905 . . . . 0.0 111.531 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 t -77.6 -29.48 51.95 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -171.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.54 -157.3 43.96 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.686 1.612 . . . . 0.0 112.66 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.88 -8.68 16.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.101 1.36 . . . . 0.0 114.364 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -30.28 69.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.953 1.301 . . . . 0.0 112.479 171.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.37 -176.25 45.04 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.729 1.157 . . . . 0.0 113.301 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 25.9 p80 -147.64 157.1 43.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.283 1.033 . . . . 0.0 112.376 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -82.02 -16.69 49.38 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -80.54 91.92 5.85 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.362 -0.836 . . . . 0.0 111.026 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -118.71 89.5 37.79 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.47 1.108 . . . . 0.0 109.297 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.37 176.75 9.33 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.723 3.615 . . . . 0.0 112.01 -173.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -81.56 43.39 0.74 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.223 1.409 . . . . 0.0 112.766 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.368 1.867 . . . . 0.0 112.312 -177.432 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.639 0 CA-C-O 121.134 0.297 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.4 tt -85.16 -50.89 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.194 0.998 . . . . 0.0 113.672 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.74 -29.96 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.916 0.78 . . . . 0.0 112.596 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.15 -16.4 63.94 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.15 -55.3 2.81 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.585 1.154 . . . . 0.0 109.774 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -67.29 -30.36 70.2 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -75.55 -9.74 58.84 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 120.813 -1.18 . . . . 0.0 112.947 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 m -113.69 -33.6 5.77 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.725 2.01 . . . . 0.0 112.335 -173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -143.52 173.08 11.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.185 1.794 . . . . 0.0 112.021 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.46 123.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.946 -1.096 . . . . 0.0 111.663 -175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 m -108.16 149.33 28.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.311 1.044 . . . . 0.0 111.542 163.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -153.75 159.72 42.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.478 1.511 . . . . 0.0 110.102 -161.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.28 -44.31 33.56 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -73.24 -23.11 60.3 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -82.94 -47.18 12.05 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.688 1.195 . . . . 0.0 109.404 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.5 -32.31 71.32 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.922 1.689 . . . . 0.0 113.353 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.69 -27.0 66.03 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.529 0.732 . . . . 0.0 112.936 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -64.27 -17.93 64.09 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.26 8.32 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.081 1.352 . . . . 0.0 112.455 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.85 136.78 47.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.767 1.227 . . . . 0.0 111.424 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.542 0.653 0 O-C-N 121.499 -0.751 . . . . 0.0 111.864 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.0 p90 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.53 155.57 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.857 1.663 . . . . 0.0 110.827 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -53.55 119.72 5.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.781 1.632 . . . . 0.0 112.092 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.54 -178.37 4.39 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.216 1.407 . . . . 0.0 111.288 -172.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -79.01 57.0 2.08 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.452 1.501 . . . . 0.0 112.237 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 mt -55.76 132.9 50.45 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.242 1.817 . . . . 0.0 112.252 -174.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 11.6 t -155.51 133.66 11.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.36 -0.837 . . . . 0.0 112.134 -173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.69 -124.42 26.58 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 123.666 0.65 . . . . 0.0 112.206 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -56.0 -40.64 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.791 1.236 . . . . 0.0 112.991 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -56.45 -42.91 78.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.452 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -43.87 77.52 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.501 0.72 . . . . 0.0 110.58 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.82 -49.29 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.778 0.831 . . . . 0.0 112.077 176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.68 -35.04 76.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.556 0.616 . . . . 0.0 111.882 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.68 -50.53 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.653 0.781 . . . . 0.0 111.782 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -55.16 -42.66 73.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.09 0.556 . . . . 0.0 111.492 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -65.4 -42.27 92.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.73 -35.46 80.16 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.797 1.181 . . . . 0.0 112.42 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.19 -54.85 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.921 0.888 . . . . 0.0 111.216 173.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.05 -27.1 48.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -157.93 43.81 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.267 1.413 . . . . 0.0 112.756 -174.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.14 -10.74 6.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -56.9 -33.62 67.08 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.493 1.517 . . . . 0.0 113.112 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.22 -170.33 50.23 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.482 1.039 . . . . 0.0 113.085 -174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -149.99 154.55 38.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.279 1.032 . . . . 0.0 112.732 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -82.23 -9.97 59.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 114.049 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.29 -37.79 88.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -20.27 100.47 0.06 OUTLIER Pre-proline 0 N--CA 1.486 1.358 0 C-N-CA 128.345 2.658 . . . . 0.0 113.824 -167.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.76 161.6 36.31 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.714 2.942 . . . . 0.0 112.526 -163.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -153.74 142.4 20.89 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 111.817 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 125.385 1.474 . . . . 0.0 111.021 166.49 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.824 -0.511 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 19' ' ' TYR . 10.4 tt -55.28 -59.85 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -167.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.2 -30.47 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.52 1.054 . . . . 0.0 111.958 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.68 -34.59 73.06 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.501 1.121 . . . . 0.0 111.564 171.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -85.13 -57.0 3.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.573 1.149 . . . . 0.0 111.142 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -68.55 -27.57 66.2 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -77.44 -10.0 59.21 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.025 -1.047 . . . . 0.0 112.546 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -114.3 -32.28 6.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.655 1.982 . . . . 0.0 112.422 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -142.95 176.31 9.17 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.864 1.665 . . . . 0.0 112.373 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.05 133.21 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 120.94 -1.1 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.5 m -118.82 106.72 12.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.086 0.954 . . . . 0.0 110.733 164.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -94.87 173.23 7.7 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.492 1.517 . . . . 0.0 112.443 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -50.85 -43.48 59.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -73.09 -22.19 60.62 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -81.46 -48.49 11.8 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.801 1.241 . . . . 0.0 109.008 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.79 -33.21 73.7 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.484 1.514 . . . . 0.0 113.549 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.23 -26.39 66.38 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.375 0.67 . . . . 0.0 112.699 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -62.76 -17.65 61.34 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CG ' HD12 ' A' ' 2' ' ' ILE . 6.6 m-85 -107.87 5.97 26.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.668 1.187 . . . . 0.0 112.521 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -74.74 135.95 41.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.737 1.215 . . . . 0.0 110.905 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 N--CA 1.472 0.634 0 O-C-N 121.464 -0.773 . . . . 0.0 111.595 -179.344 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.5 p90 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.0 t 80.93 -33.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 128.343 2.657 . . . . 0.0 115.003 158.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m120 105.79 104.29 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 130.476 3.51 . . . . 0.0 107.223 -170.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -162.34 171.08 17.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.298 1.039 . . . . 0.0 109.462 -157.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -66.0 135.78 55.14 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.812 -0.555 . . . . 0.0 109.848 159.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -139.04 131.39 28.45 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 110.161 -173.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.8 125.42 7.62 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.833 -0.542 . . . . 0.0 110.952 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.04 -121.04 17.77 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 123.814 0.721 . . . . 0.0 111.939 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -53.02 -50.72 63.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.452 1.101 . . . . 0.0 112.376 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -50.15 -42.25 50.51 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.852 -1.155 . . . . 0.0 113.314 173.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.06 -43.58 70.89 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.099 0.96 . . . . 0.0 110.795 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.17 -46.27 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.876 0.87 . . . . 0.0 112.029 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -61.36 -46.6 89.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.906 1.283 . . . . 0.0 110.8 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.48 78.54 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.674 0.79 . . . . 0.0 112.184 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -56.68 -44.31 81.3 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 122.924 0.489 . . . . 0.0 111.603 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.34 -45.01 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.432 0.56 . . . . 0.0 112.394 173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -65.46 -36.22 83.24 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.414 -0.804 . . . . 0.0 112.517 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.34 -52.87 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.346 1.058 . . . . 0.0 111.351 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.15 -17.95 61.92 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.05 -129.88 9.5 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.467 1.508 . . . . 0.0 112.308 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.67 -2.02 24.37 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.254 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -101.85 152.6 20.71 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.245 1.818 . . . . 0.0 111.495 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.71 -177.9 49.32 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 124.924 1.25 . . . . 0.0 113.654 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -137.89 150.53 47.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.274 1.43 . . . . 0.0 111.824 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -82.82 -8.95 59.54 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -65.08 -35.59 81.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 13.7 p -20.17 100.45 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 128.333 2.653 . . . . 0.0 113.965 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 158.06 38.9 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 123.731 2.954 . . . . 0.0 112.089 -163.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -83.33 31.58 0.45 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.977 1.311 . . . . 0.0 113.37 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.899 2.08 . . . . 0.0 112.447 -179.411 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.551 -0.219 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.93 -46.12 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 124.096 0.958 . . . . 0.0 113.561 -173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.57 -31.61 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.64 0.776 . . . . 0.0 110.952 -174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.11 -3.42 7.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.018 1.727 . . . . 0.0 113.564 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -125.01 -51.3 1.68 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.373 1.469 . . . . 0.0 110.988 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -70.88 -33.93 71.09 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.83 -19.73 22.23 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.174 0.897 . . . . 0.0 112.78 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.9 p -90.95 -27.88 18.42 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.906 1.682 . . . . 0.0 112.918 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -148.59 -169.01 3.25 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.404 1.482 . . . . 0.0 111.723 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 mm -71.49 139.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 120.522 -1.361 . . . . 0.0 110.54 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 p -139.45 161.95 36.22 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 112.173 162.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.6 m -148.92 163.57 37.08 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.45 1.1 . . . . 0.0 111.976 -162.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.52 -44.36 17.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -172.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -71.91 -23.66 61.51 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.68 -41.07 14.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.257 1.023 . . . . 0.0 110.273 171.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -60.58 -32.06 71.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.691 1.197 . . . . 0.0 113.078 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 27.1 tt0 -59.27 -26.46 64.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -64.35 -16.85 63.02 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -104.31 4.35 33.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.543 1.137 . . . . 0.0 112.668 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.0 m -71.22 148.17 47.52 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.398 -0.814 . . . . 0.0 112.183 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 123.357 0.663 . . . . 0.0 111.55 176.272 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.0 p90 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.42 144.44 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.418 1.487 . . . . 0.0 110.088 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -54.56 125.03 18.08 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 112.658 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -168.76 -176.24 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.478 1.911 . . . . 0.0 109.763 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -77.73 121.12 23.59 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.582 0.753 . . . . 0.0 110.76 172.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.51 117.82 32.02 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.545 1.938 . . . . 0.0 110.672 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 140.06 51.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.874 1.27 . . . . 0.0 110.172 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -119.19 13.46 Favored Glycine 0 N--CA 1.473 1.133 0 C-N-CA 124.054 0.835 . . . . 0.0 113.523 170.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 t -53.04 -50.52 64.12 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.379 1.072 . . . . 0.0 112.249 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.91 -42.22 65.16 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.76 -1.213 . . . . 0.0 112.219 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.51 -41.44 76.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.89 0.876 . . . . 0.0 111.718 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.9 -43.84 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.897 0.879 . . . . 0.0 112.029 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.72 -45.98 84.23 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.0 1.32 . . . . 0.0 111.016 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.82 79.29 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.87 0.868 . . . . 0.0 111.456 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.8 mt -54.88 -49.82 70.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.745 174.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -56.58 -40.99 76.18 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.92 1.236 . . . . 0.0 113.095 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.5 mt -69.7 -32.29 70.8 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.271 -0.893 . . . . 0.0 112.838 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.26 -55.37 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.757 1.223 . . . . 0.0 111.175 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -74.3 -29.57 61.69 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.382 1.873 . . . . 0.0 114.174 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.95 -160.74 48.71 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.796 1.189 . . . . 0.0 112.501 -174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.2 -12.16 11.84 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -62.16 -34.73 76.96 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.875 1.27 . . . . 0.0 112.17 171.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.07 -163.65 54.23 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.901 1.239 . . . . 0.0 113.558 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 21.1 p80 -153.63 160.69 42.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.319 1.848 . . . . 0.0 111.685 -173.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -87.33 -11.47 49.36 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -79.2 84.52 5.15 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.18 0.9 . . . . 0.0 111.059 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -114.73 85.27 11.25 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.096 1.358 . . . . 0.0 108.886 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -70.34 140.69 41.05 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.73 2.953 . . . . 0.0 111.327 -172.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.05 24.44 0.43 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 128.822 2.849 . . . . 0.0 113.403 -1.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.364 1.865 . . . . 0.0 113.362 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 tp -68.46 -65.81 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 126.144 1.777 . . . . 0.0 112.658 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.91 -18.02 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.184 0.994 . . . . 0.0 112.669 -171.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.24 -21.7 62.97 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.989 1.316 . . . . 0.0 112.717 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -129.52 -26.61 2.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.3 m -98.25 17.4 18.75 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.928 1.24 . . . . 0.0 113.864 173.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -155.38 116.27 3.9 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.13 0.877 . . . . 0.0 112.773 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 p -75.39 127.0 32.15 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.811 2.844 . . . . 0.0 109.931 -15.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -168.55 168.7 10.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.384 1.474 . . . . 0.0 109.739 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -76.56 -42.99 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.382 -0.824 . . . . 0.0 109.98 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.52 -61.28 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 128.443 2.697 . . . . 0.0 114.404 -163.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m 78.96 166.95 0.2 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.109 2.563 . . . . 0.0 113.19 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.84 -45.1 29.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 115.235 -171.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -71.27 -22.91 61.9 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -85.16 -48.29 9.3 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.888 0.875 . . . . 0.0 109.607 170.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.76 -30.73 71.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.767 1.227 . . . . 0.0 113.103 -176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.95 -27.98 69.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.983 0.913 . . . . 0.0 112.823 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.86 -19.28 63.98 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.97 3.01 35.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.734 1.214 . . . . 0.0 112.385 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.43 134.39 48.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.016 1.326 . . . . 0.0 111.113 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.472 0.641 0 O-C-N 121.442 -0.786 . . . . 0.0 111.698 -178.29 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.0 p90 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.37 141.39 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.571 1.148 . . . . 0.0 110.009 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.36 40.31 0.1 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.999 1.72 . . . . 0.0 113.688 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -88.48 170.58 10.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.25 1.82 . . . . 0.0 110.881 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -65.81 130.77 44.43 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.839 -0.538 . . . . 0.0 110.351 161.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.59 163.01 20.78 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.179 1.392 . . . . 0.0 112.425 -174.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 m -168.36 159.46 10.58 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.978 2.511 . . . . 0.0 109.534 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.93 -124.0 19.06 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 124.39 0.995 . . . . 0.0 113.779 167.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -53.17 -48.55 67.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.269 1.028 . . . . 0.0 112.58 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -58.92 -39.25 80.99 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.595 -1.316 . . . . 0.0 112.706 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -66.54 -43.17 85.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.233 0.613 . . . . 0.0 110.861 175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.0 t -60.29 -44.11 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.132 0.973 . . . . 0.0 111.616 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -61.86 -47.34 85.44 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.744 1.217 . . . . 0.0 110.927 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.9 74.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.5 mt -55.49 -46.09 76.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.028 0.931 . . . . 0.0 111.73 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -62.48 -43.17 99.46 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.225 0.61 . . . . 0.0 112.399 174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -68.32 -33.5 74.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.728 0.811 . . . . 0.0 112.83 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -71.28 -53.43 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.879 0.871 . . . . 0.0 111.18 171.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.8 t -68.58 -39.11 81.11 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -172.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 -134.3 13.36 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.809 1.195 . . . . 0.0 111.399 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.48 156.18 27.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.031 0.933 . . . . 0.0 112.279 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 78.11 -17.04 0.6 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 128.581 2.752 . . . . 0.0 113.75 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.23 -160.72 53.42 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.025 1.298 . . . . 0.0 114.035 171.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -133.71 161.78 33.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.511 1.524 . . . . 0.0 112.218 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -83.53 -12.5 56.12 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -80.38 85.97 5.79 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.262 -0.899 . . . . 0.0 111.409 173.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 31.8 p -115.25 85.87 13.47 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 124.328 1.051 . . . . 0.0 109.092 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.83 157.96 54.01 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 124.065 3.177 . . . . 0.0 111.765 -173.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -77.52 133.77 38.46 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.163 2.185 . . . . 0.0 112.089 -3.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.96 1.704 . . . . 0.0 112.588 -176.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.451 HG23 ' H ' ' A' ' 3' ' ' VAL 0.336 6.6 tp 45.22 -94.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.509 2.324 . . . . 0.0 113.578 177.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.451 ' H ' HG23 ' A' ' 2' ' ' ILE . 25.9 t -61.72 -30.81 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.874 1.27 . . . . 0.0 111.439 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.63 -17.14 62.6 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.68 1.192 . . . . 0.0 112.692 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -103.44 -57.18 2.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.659 1.184 . . . . 0.0 110.032 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -65.43 -24.57 67.22 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -81.56 -17.4 48.5 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.0 p -116.82 -20.49 9.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.567 1.547 . . . . 0.0 113.459 -176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.8 t -143.73 163.68 32.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.24 1.816 . . . . 0.0 110.74 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 mt -82.03 127.18 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 O-C-N 120.754 -1.216 . . . . 0.0 112.707 -165.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.66 146.49 26.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.125 1.37 . . . . 0.0 111.233 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -148.8 163.12 38.31 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.226 1.81 . . . . 0.0 109.238 -168.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.82 -48.29 4.31 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -173.323 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -71.12 -24.43 62.28 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -83.27 -45.63 13.59 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.628 1.171 . . . . 0.0 109.594 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.85 -33.22 72.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.102 1.761 . . . . 0.0 112.93 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -58.53 -26.5 63.58 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.742 0.817 . . . . 0.0 113.046 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -65.4 -17.73 64.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 120.945 -1.097 . . . . 0.0 113.863 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -107.51 5.86 27.54 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.946 1.298 . . . . 0.0 112.546 176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.35 141.14 48.78 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.524 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.471 0.594 0 C-N-CA 123.266 0.626 . . . . 0.0 111.59 173.46 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.36 156.68 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.818 1.647 . . . . 0.0 110.884 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.2 120.52 8.24 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.544 1.537 . . . . 0.0 111.839 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -166.68 176.31 7.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.796 1.639 . . . . 0.0 110.348 -174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -77.08 65.07 2.64 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.757 0.823 . . . . 0.0 111.38 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -51.07 122.86 8.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.421 1.888 . . . . 0.0 112.745 -172.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 t -169.16 162.87 10.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.635 0.774 . . . . 0.0 112.346 -169.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.37 -48.37 2.15 Favored Glycine 0 N--CA 1.477 1.371 0 C-N-CA 126.351 1.929 . . . . 0.0 114.261 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.9 t -159.06 -38.93 0.06 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.393 1.877 . . . . 0.0 110.982 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -31.02 32.19 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -36.99 79.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.555 1.142 . . . . 0.0 112.008 174.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.67 -44.21 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 0.0 110.553 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.74 -46.55 89.15 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.229 1.012 . . . . 0.0 110.653 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.53 70.0 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.462 1.105 . . . . 0.0 112.178 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.63 -40.66 84.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.163 0.438 . . . . 0.0 111.942 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.22 -43.57 97.73 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.54 0.609 . . . . 0.0 112.343 173.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.24 -32.97 71.05 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.556 -0.715 . . . . 0.0 112.836 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -71.83 -54.83 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.102 0.961 . . . . 0.0 111.115 172.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.6 -29.31 56.48 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 -164.6 33.22 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.353 1.454 . . . . 0.0 113.28 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.94 -16.89 47.62 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -77.36 -8.79 58.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.59 -163.78 54.17 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.776 1.179 . . . . 0.0 114.219 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -149.21 159.5 44.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.113 1.365 . . . . 0.0 112.271 -174.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -82.8 -11.4 58.29 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.17 -37.03 84.65 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -20.73 99.64 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.399 0 C-N-CA 128.348 2.659 . . . . 0.0 113.783 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.57 157.04 40.54 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.732 2.955 . . . . 0.0 112.312 -164.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -74.11 128.56 35.84 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.607 0.763 . . . . 0.0 111.289 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.232 1.813 . . . . 0.0 112.638 179.632 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.1 tt -55.72 -32.9 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -58.38 -27.03 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.033 1.333 . . . . 0.0 112.974 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.08 -13.92 60.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.056 0.942 . . . . 0.0 112.531 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -97.18 -65.15 0.98 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.5 1.12 . . . . 0.0 110.255 174.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.6 m -81.48 -7.11 59.54 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -162.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.81 91.63 5.45 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.185 0.994 . . . . 0.0 110.933 166.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 p -110.92 117.68 34.03 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 130.425 3.49 . . . . 0.0 109.663 -8.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -167.33 160.12 13.18 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.446 1.899 . . . . 0.0 109.831 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.1 mm -65.97 120.69 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.067 -1.02 . . . . 0.0 111.555 -173.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.49 138.0 38.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.763 1.225 . . . . 0.0 109.175 160.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 m -140.25 151.37 45.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.296 1.038 . . . . 0.0 111.723 -175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -45.11 37.67 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -72.14 -23.48 61.3 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.2 -45.13 12.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.394 1.078 . . . . 0.0 110.027 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.4 mt -57.03 -29.72 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.124 1.77 . . . . 0.0 113.204 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.06 -26.67 68.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -65.86 -17.73 64.85 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.985 -1.072 . . . . 0.0 113.738 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -104.02 3.74 33.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.029 1.331 . . . . 0.0 112.046 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.48 136.62 54.9 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.998 1.319 . . . . 0.0 110.964 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.5 -0.75 . . . . 0.0 111.716 178.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 p90 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m 59.5 154.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 130.273 3.429 . . . . 0.0 116.087 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -68.67 110.84 4.46 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.513 1.125 . . . . 0.0 110.038 175.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -161.79 -177.48 5.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.824 1.25 . . . . 0.0 111.39 -174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -76.08 51.48 0.67 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.028 1.731 . . . . 0.0 113.384 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -61.24 128.1 34.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.125 1.77 . . . . 0.0 110.897 -173.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -144.22 133.46 23.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.052 0.941 . . . . 0.0 111.277 -169.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.8 -119.78 17.63 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.773 0.701 . . . . 0.0 112.432 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p -54.93 -49.37 71.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.552 1.141 . . . . 0.0 112.333 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -52.88 -38.27 61.46 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.045 -1.034 . . . . 0.0 112.866 174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 -46.55 67.0 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.458 1.103 . . . . 0.0 110.731 178.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.75 -43.23 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.369 1.068 . . . . 0.0 111.933 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -62.84 -46.64 86.99 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.828 1.251 . . . . 0.0 111.098 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -50.48 73.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.078 0.951 . . . . 0.0 111.78 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.419 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.3 mt -54.71 -44.38 73.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.548 0.739 . . . . 0.0 111.782 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -65.55 -41.74 92.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.44 -37.11 85.93 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.596 1.089 . . . . 0.0 112.182 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.21 -54.86 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.05 0.94 . . . . 0.0 111.137 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 t -74.47 -30.49 61.87 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.41 -155.27 41.53 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 125.677 1.608 . . . . 0.0 112.667 -173.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.33 -18.98 31.45 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.714 1.606 . . . . 0.0 114.254 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.54 70.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.055 1.342 . . . . 0.0 112.799 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.8 -174.9 42.17 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.586 1.088 . . . . 0.0 113.444 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.419 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.8 p80 -143.56 159.19 42.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.421 1.088 . . . . 0.0 112.329 -176.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -80.89 -17.91 49.03 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.37 88.79 3.76 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.218 0.917 . . . . 0.0 111.337 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -118.93 87.78 34.53 Favored Pre-proline 0 N--CA 1.474 0.77 0 C-N-CA 124.766 1.226 . . . . 0.0 109.285 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -73.53 161.87 41.26 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.838 3.025 . . . . 0.0 112.11 -174.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -154.28 138.02 16.14 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.949 1.299 . . . . 0.0 111.628 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.595 1.958 . . . . 0.0 114.091 175.576 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt -50.52 -48.73 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.972 1.309 . . . . 0.0 114.524 -165.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.53 -25.86 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.451 0.7 . . . . 0.0 112.757 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -82.96 -2.56 55.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.48 1.112 . . . . 0.0 112.671 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.21 -46.86 2.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.232 1.413 . . . . 0.0 111.313 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.3 m -92.29 -27.39 17.63 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -77.68 -19.89 54.57 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.025 -1.047 . . . . 0.0 112.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.6 p -102.9 -31.73 10.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.114 2.165 . . . . 0.0 113.212 -174.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.2 t -140.35 179.05 6.88 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.325 1.45 . . . . 0.0 112.198 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.45 126.38 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 120.845 -1.16 . . . . 0.0 111.106 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -98.78 138.78 35.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.049 1.74 . . . . 0.0 110.947 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.1 m -152.65 164.53 37.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.709 1.204 . . . . 0.0 111.275 -172.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.2 -43.96 42.75 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -73.88 -20.83 60.29 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -84.83 -46.88 10.92 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.612 1.165 . . . . 0.0 109.149 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.3 mt -59.45 -36.11 75.31 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.586 1.554 . . . . 0.0 113.709 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.72 -27.24 66.3 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.452 0.701 . . . . 0.0 112.848 -178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -61.49 -19.11 61.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -106.71 6.9 30.13 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.938 1.295 . . . . 0.0 112.453 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -70.97 143.9 50.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.94 0.896 . . . . 0.0 111.646 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.171 0.988 . . . . 0.0 112.112 179.421 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.1 p90 . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -124.98 146.8 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.22 1.808 . . . . 0.0 108.973 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -48.5 127.49 13.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.93 1.292 . . . . 0.0 113.435 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -172.21 174.76 3.88 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.611 1.964 . . . . 0.0 109.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -77.86 58.22 1.85 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.768 1.227 . . . . 0.0 112.559 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -53.26 132.59 39.14 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.413 1.485 . . . . 0.0 111.903 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.15 152.19 22.18 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.337 0.655 . . . . 0.0 112.075 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.1 -130.04 29.64 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.808 0.718 . . . . 0.0 111.68 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -64.53 -32.41 74.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.457 0.703 . . . . 0.0 112.727 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -33.65 65.72 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.508 -1.37 . . . . 0.0 112.929 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.17 -34.88 79.04 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 123.999 0.92 . . . . 0.0 112.985 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.5 -44.24 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-N 119.401 1.001 . . . . 0.0 109.95 -175.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.69 -35.31 74.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.29 0.636 . . . . 0.0 112.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.81 73.21 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.377 -0.827 . . . . 0.0 111.716 173.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.27 -42.42 86.47 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.797 0.839 . . . . 0.0 111.736 175.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -60.24 -41.63 93.59 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.521 0.6 . . . . 0.0 112.423 173.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.32 -41.85 80.2 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.779 0.718 . . . . 0.0 112.733 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -68.8 -52.54 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.905 0.882 . . . . 0.0 111.433 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.4 t -73.12 -26.5 61.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.457 1.103 . . . . 0.0 113.383 -174.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.73 -43.45 2.79 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.148 1.833 . . . . 0.0 115.179 167.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -138.22 147.25 43.56 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.046 1.338 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 65.07 176.93 0.2 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.061 2.144 . . . . 0.0 112.975 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.49 117.13 4.56 Favored Glycine 0 N--CA 1.468 0.829 0 C-N-CA 124.291 0.948 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -65.89 160.86 22.41 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.456 1.103 . . . . 0.0 112.446 164.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -84.15 -18.27 37.3 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -80.11 104.86 10.96 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.467 1.03 . . . . 0.0 110.892 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.7 p -135.84 100.75 10.84 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 124.243 1.017 . . . . 0.0 108.373 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -76.66 153.98 34.5 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.797 2.998 . . . . 0.0 111.646 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -155.02 26.41 0.42 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.621 1.168 . . . . 0.0 113.929 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.252 1.204 0 C-N-CA 126.966 2.106 . . . . 0.0 112.502 -177.745 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.445 -0.641 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.407 HG23 ' H ' ' A' ' 3' ' ' VAL 0.313 12.0 tt 33.1 -73.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 130.163 3.385 . . . . 0.0 117.474 178.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 2' ' ' ILE . 24.4 t -58.32 -35.38 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.062 1.345 . . . . 0.0 110.836 176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -64.79 -15.0 61.08 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.345 1.058 . . . . 0.0 113.3 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -98.62 -62.29 1.26 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.208 1.003 . . . . 0.0 109.85 168.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -68.82 -24.84 64.43 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -166.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 t -111.77 87.02 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.211 1.404 . . . . 0.0 111.113 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -116.65 118.23 32.0 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 129.274 3.03 . . . . 0.0 111.25 -0.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -163.61 159.3 21.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.34 165.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.3 119.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.276 -0.89 . . . . 0.0 110.853 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 m -114.87 150.42 35.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.768 1.227 . . . . 0.0 111.567 170.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 m -151.95 159.43 43.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.832 1.253 . . . . 0.0 110.877 -163.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -49.33 -45.3 45.29 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -71.01 -21.72 62.25 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.91 -43.45 11.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.47 1.108 . . . . 0.0 110.502 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.57 -30.09 71.12 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.015 1.326 . . . . 0.0 113.507 178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.37 -27.03 67.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.777 0.831 . . . . 0.0 112.694 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -62.32 -17.2 58.17 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -104.62 3.0 31.19 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.619 1.167 . . . . 0.0 112.832 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.06 140.33 54.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.804 1.242 . . . . 0.0 111.132 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 CA--C 1.542 0.654 0 O-C-N 121.414 -0.804 . . . . 0.0 112.041 175.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.5 p90 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.45 159.83 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.293 1.037 . . . . 0.0 111.878 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.04 118.89 5.9 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.702 1.201 . . . . 0.0 110.46 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -161.77 170.51 19.45 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.39 0.676 . . . . 0.0 112.706 -168.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -73.92 135.0 43.26 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.478 1.111 . . . . 0.0 110.601 169.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.23 130.25 38.79 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.82 0.848 . . . . 0.0 111.687 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.1 m -132.91 136.9 46.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.255 1.422 . . . . 0.0 110.315 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.16 -120.99 20.44 Favored Glycine 0 N--CA 1.473 1.117 0 C-N-CA 124.237 0.923 . . . . 0.0 113.554 169.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -46.63 64.23 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.018 1.327 . . . . 0.0 112.71 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -38.76 75.05 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.686 -1.259 . . . . 0.0 112.498 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -42.72 70.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.686 1.194 . . . . 0.0 110.574 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t -59.64 -45.0 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 124.428 1.091 . . . . 0.0 111.904 172.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.46 -44.56 94.11 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 111.143 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.0 -48.9 79.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.722 0.809 . . . . 0.0 111.416 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.67 -45.26 81.8 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.206 0.603 . . . . 0.0 112.036 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.79 -38.01 80.72 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.129 0.972 . . . . 0.0 113.008 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.16 -40.26 52.98 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.645 0.778 . . . . 0.0 112.294 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.52 -51.68 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.553 1.141 . . . . 0.0 111.178 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.73 -27.53 68.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.756 0.822 . . . . 0.0 112.518 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.14 72.12 1.18 Allowed Glycine 0 C--N 1.342 0.901 0 C-N-CA 125.186 1.374 . . . . 0.0 109.942 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.336 10.7 pt-20 48.0 -133.47 1.3 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.931 1.293 . . . . 0.0 111.154 -158.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 66.94 -16.85 0.13 Allowed 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.498 2.319 . . . . 0.0 115.286 174.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.88 172.87 49.55 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 126.274 1.892 . . . . 0.0 113.294 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -154.78 155.85 35.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.816 1.646 . . . . 0.0 110.489 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -84.51 -12.8 53.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -171.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.76 87.64 5.84 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.135 0.88 . . . . 0.0 111.002 169.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.5 p -118.14 93.14 44.18 Favored Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 124.843 1.257 . . . . 0.0 109.339 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.58 162.33 38.14 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.845 3.03 . . . . 0.0 112.137 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -155.59 138.8 15.63 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.643 1.177 . . . . 0.0 111.698 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.182 1.793 . . . . 0.0 112.692 179.563 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.51 HD13 ' CE2' ' A' ' 19' ' ' TYR . 3.7 tp -52.71 -44.27 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.265 1.426 . . . . 0.0 114.074 -172.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.24 -28.56 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.06 -22.99 55.05 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.897 0.879 . . . . 0.0 111.78 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -87.52 -66.44 0.91 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.434 1.093 . . . . 0.0 109.589 173.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -29.38 70.38 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -163.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.19 -15.42 63.39 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -124.42 -28.2 3.66 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.032 1.733 . . . . 0.0 112.694 -171.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 m -127.14 156.09 42.32 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 128.003 2.521 . . . . 0.0 111.208 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.11 134.89 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.171 -0.956 . . . . 0.0 111.841 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.79 -113.61 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.254 1.421 . . . . 0.0 111.685 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 m 89.61 148.18 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 128.888 2.875 . . . . 0.0 112.698 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.54 -44.85 66.06 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -71.31 -22.31 61.95 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -85.76 -48.18 9.05 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.297 1.039 . . . . 0.0 109.608 170.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.62 -31.11 67.79 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.177 1.391 . . . . 0.0 113.402 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.0 -27.46 68.33 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.744 0.818 . . . . 0.0 112.852 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -16.76 61.59 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.51 ' CE2' HD13 ' A' ' 2' ' ' ILE . 8.0 m-85 -108.05 9.78 28.35 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.158 1.383 . . . . 0.0 112.019 177.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.45 144.45 48.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.331 1.053 . . . . 0.0 111.443 172.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 124.012 0.925 . . . . 0.0 111.795 177.693 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.5 t 78.28 148.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 128.233 2.613 . . . . 0.0 111.723 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -70.07 92.61 0.75 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.747 1.219 . . . . 0.0 110.297 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -155.85 179.61 9.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.054 0.942 . . . . 0.0 112.754 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -87.53 58.18 4.8 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.159 1.783 . . . . 0.0 112.91 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 137.3 58.17 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.884 -1.135 . . . . 0.0 112.065 -175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -136.16 151.03 49.33 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.215 1.006 . . . . 0.0 111.751 -174.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.78 -125.74 37.48 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.636 0.636 . . . . 0.0 112.987 171.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 p -54.55 -49.44 70.32 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.235 1.014 . . . . 0.0 112.234 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.88 -35.72 69.26 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.963 -1.086 . . . . 0.0 113.097 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.03 -44.67 72.25 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.477 0.711 . . . . 0.0 111.363 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.58 -42.84 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.63 0.65 . . . . 0.0 111.669 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.44 -47.82 84.0 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.086 1.354 . . . . 0.0 111.096 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.74 75.1 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.609 0.763 . . . . 0.0 112.201 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.69 -42.32 78.87 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.39 0.676 . . . . 0.0 111.567 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -64.49 -41.47 96.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.474 0.71 . . . . 0.0 112.577 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -66.59 -40.85 89.1 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.958 0.799 . . . . 0.0 112.046 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.36 -52.46 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.491 1.116 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.72 -31.93 72.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.564 0.746 . . . . 0.0 112.556 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.1 -0.69 58.26 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 126.076 1.798 . . . . 0.0 115.295 169.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -172.87 167.96 5.06 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.332 2.253 . . . . 0.0 108.374 -168.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 72.3 -23.8 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.352 2.261 . . . . 0.0 115.687 161.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.69 14.28 70.72 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.201 1.382 . . . . 0.0 115.777 171.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 p80 45.88 -166.66 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 126.457 1.903 . . . . 0.0 115.105 -174.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.48 -10.54 13.19 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -88.72 87.74 7.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.758 0.823 . . . . 0.0 110.872 174.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.9 p -117.2 85.93 19.97 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 124.791 1.236 . . . . 0.0 110.03 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.81 162.41 39.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.819 3.013 . . . . 0.0 112.113 -176.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -153.77 137.58 16.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.025 1.33 . . . . 0.0 111.312 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.251 1.155 0 C-N-CA 126.125 1.77 . . . . 0.0 110.86 -178.384 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 CA-C-O 121.263 0.368 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.94 -44.02 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -169.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.95 -37.9 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.535 0.734 . . . . 0.0 110.08 -169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.93 -12.9 54.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.078 1.751 . . . . 0.0 113.341 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -104.86 -64.9 1.08 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.707 1.203 . . . . 0.0 109.912 170.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 m -75.75 -26.04 57.07 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -164.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.34 -31.08 14.8 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.454 0.57 . . . . 0.0 112.183 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.2 m -77.84 -37.18 49.01 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.397 1.479 . . . . 0.0 112.486 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -139.89 -169.01 2.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.741 1.616 . . . . 0.0 111.05 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.39 127.52 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.828 -1.17 . . . . 0.0 111.444 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -90.31 156.77 18.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 112.08 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -151.99 156.68 40.48 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.521 0.729 . . . . 0.0 112.034 -173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -53.82 -43.04 69.05 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -73.05 -27.81 61.96 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -71.93 -49.46 37.42 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 173.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.92 -37.43 84.62 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.791 1.636 . . . . 0.0 113.665 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -28.01 68.94 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.89 -14.47 59.8 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -109.4 7.57 25.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.726 1.21 . . . . 0.0 112.962 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.72 140.01 51.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.713 1.205 . . . . 0.0 111.286 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.536 -0.728 . . . . 0.0 111.494 175.174 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.7 t 73.65 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 128.954 2.901 . . . . 0.0 113.438 171.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.05 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.209 1.804 . . . . 0.0 110.817 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 82.49 159.67 0.13 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 128.193 2.597 . . . . 0.0 113.409 165.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -85.67 39.42 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.681 1.593 . . . . 0.0 112.015 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pp -63.92 133.52 53.41 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.78 1.632 . . . . 0.0 114.108 -167.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.1 m -128.13 157.3 41.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.701 2.0 . . . . 0.0 111.187 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.29 -119.49 13.67 Favored Glycine 0 N--CA 1.474 1.23 0 C-N-CA 123.937 0.779 . . . . 0.0 113.906 165.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 p -54.88 -53.04 60.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.294 1.037 . . . . 0.0 112.118 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -52.23 -39.58 60.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.501 1.12 . . . . 0.0 112.079 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.43 -38.24 71.38 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.985 0.914 . . . . 0.0 112.153 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -61.89 -43.82 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.246 1.019 . . . . 0.0 111.303 169.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.7 -45.45 92.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.21 0.604 . . . . 0.0 111.343 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.01 -51.16 70.84 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.987 0.915 . . . . 0.0 111.225 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 28.4 mt -55.91 -45.03 78.8 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.946 0.498 . . . . 0.0 111.96 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -62.29 -43.49 98.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.805 0.729 . . . . 0.0 112.543 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.7 -34.45 77.87 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.458 -0.776 . . . . 0.0 112.491 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.63 -52.6 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.807 0.843 . . . . 0.0 111.548 173.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.0 t -80.0 -25.54 40.24 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.84 -159.5 43.94 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.466 1.507 . . . . 0.0 112.854 -174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.18 -7.07 5.1 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -60.66 -29.75 69.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.512 1.525 . . . . 0.0 112.965 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.75 -174.99 52.29 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.809 1.195 . . . . 0.0 113.116 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 25.8 p80 -153.61 157.84 40.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.443 1.097 . . . . 0.0 112.556 -176.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -90.11 -6.09 55.8 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -65.13 -38.55 90.99 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.3 p -23.52 103.18 0.1 Allowed Pre-proline 0 N--CA 1.484 1.227 0 C-N-CA 128.12 2.568 . . . . 0.0 113.823 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -75.86 158.02 38.96 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 123.647 2.898 . . . . 0.0 112.11 -163.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.32 19.72 0.74 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 129.757 3.223 . . . . 0.0 111.832 178.631 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 121.154 0.308 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -87.85 -50.38 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.28 -27.07 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 120.133 1.333 . . . . 0.0 113.455 -171.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.7 -6.37 25.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 172.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.24 -62.13 1.58 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.588 1.555 . . . . 0.0 109.836 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.8 t -78.03 -30.71 50.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -88.56 -25.47 22.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.887 0.875 . . . . 0.0 112.434 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -84.51 -33.64 23.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.486 1.514 . . . . 0.0 112.568 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -136.8 -176.7 4.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.596 1.159 . . . . 0.0 112.336 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.36 133.23 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.699 1.2 . . . . 0.0 110.554 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -136.05 120.62 18.25 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.007 1.323 . . . . 0.0 111.998 -172.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -130.94 174.88 9.56 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.803 1.241 . . . . 0.0 112.772 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -46.1 -42.85 14.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -172.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -73.3 -22.99 60.22 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.68 -47.11 11.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.676 1.19 . . . . 0.0 109.095 170.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.47 -34.45 69.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.811 1.644 . . . . 0.0 112.973 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -59.17 -26.87 65.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.882 0.873 . . . . 0.0 113.198 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -65.48 -18.7 65.52 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.926 -1.109 . . . . 0.0 113.56 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.79 8.63 26.8 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.197 1.399 . . . . 0.0 112.245 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -73.74 140.19 45.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.88 1.272 . . . . 0.0 111.419 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 123.569 0.748 . . . . 0.0 111.626 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 p90 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 t -112.61 173.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 126.597 1.959 . . . . 0.0 109.328 -173.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -62.01 100.94 0.18 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.684 -1.26 . . . . 0.0 109.136 160.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.01 168.42 27.17 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.999 0.919 . . . . 0.0 111.797 -167.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -74.21 128.15 34.79 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.297 0.639 . . . . 0.0 109.688 164.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.37 126.19 54.11 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.801 0.84 . . . . 0.0 111.024 -175.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.15 165.2 13.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -172.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.81 -49.48 2.1 Favored Glycine 0 N--CA 1.479 1.502 0 C-N-CA 126.405 1.955 . . . . 0.0 114.516 174.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 26.9 t -156.86 -40.88 0.07 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.57 1.948 . . . . 0.0 110.475 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -35.5 20.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.191 1.396 . . . . 0.0 113.71 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -41.23 98.01 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.411 1.484 . . . . 0.0 112.019 175.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -69.54 -43.34 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.25 1.02 . . . . 0.0 110.553 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.2 -45.15 93.05 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.43 -49.34 71.87 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.561 1.144 . . . . 0.0 112.097 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 36.9 mt -57.09 -41.85 79.63 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.668 0.387 . . . . 0.0 111.326 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.61 -39.56 93.94 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 173.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.18 -40.29 94.07 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.694 1.134 . . . . 0.0 112.056 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.71 -50.68 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.816 1.246 . . . . 0.0 111.329 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.15 -11.7 46.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -172.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.08 144.16 39.65 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.523 1.058 . . . . 0.0 114.15 -166.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -86.43 10.76 14.16 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.486 2.714 . . . . 0.0 114.507 0.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -73.88 -17.89 60.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -166.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.74 -171.98 51.42 Favored Glycine 0 N--CA 1.473 1.118 0 C-N-CA 124.682 1.134 . . . . 0.0 113.375 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 22.1 p80 -152.8 155.91 38.05 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.641 -0.917 . . . . 0.0 113.124 -175.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -83.09 -11.22 58.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.729 1.212 . . . . 0.0 114.029 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.14 -39.17 92.65 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -18.04 98.25 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.412 0 C-N-CA 128.521 2.728 . . . . 0.0 113.898 -168.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.64 161.46 27.82 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.798 2.999 . . . . 0.0 112.071 -162.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -83.04 27.42 0.55 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.886 1.274 . . . . 0.0 113.435 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 127.122 2.169 . . . . 0.0 112.153 -179.585 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 111.866 -0.493 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.437 HG23 ' H ' ' A' ' 3' ' ' VAL . 8.7 tt -162.38 -69.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 126.534 1.934 . . . . 0.0 110.412 175.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 2' ' ' ILE . 8.2 p -66.98 -25.37 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.798 0.839 . . . . 0.0 111.857 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.44 -17.83 60.27 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.289 1.436 . . . . 0.0 112.74 171.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -106.06 -52.63 2.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.381 1.472 . . . . 0.0 110.103 170.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.83 -31.21 70.64 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -72.52 -16.26 61.78 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.126 -0.983 . . . . 0.0 113.579 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.1 p -125.43 -13.78 6.53 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.655 1.582 . . . . 0.0 114.073 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -147.1 155.89 42.55 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.052 1.741 . . . . 0.0 110.798 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -79.95 125.81 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 120.509 -1.37 . . . . 0.0 113.213 -162.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.5 m -103.11 95.52 6.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -83.74 168.93 15.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.201 1.0 . . . . 0.0 112.311 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -44.93 -44.61 9.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.956 1.702 . . . . 0.0 115.453 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -70.93 -23.63 62.29 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -90.06 -37.93 13.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 172.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -58.53 -35.55 72.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.404 1.081 . . . . 0.0 112.425 173.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.07 -26.19 65.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.944 0.897 . . . . 0.0 112.745 175.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -64.51 -18.58 64.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.059 -1.026 . . . . 0.0 113.354 176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.93 7.09 29.82 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.046 1.338 . . . . 0.0 112.597 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -72.39 137.89 46.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.681 1.193 . . . . 0.0 111.235 175.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.614 -0.679 . . . . 0.0 111.883 177.252 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 p90 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.1 m 61.39 148.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 130.714 3.606 . . . . 0.0 115.285 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -63.92 129.97 42.19 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.569 -0.707 . . . . 0.0 110.659 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -169.21 171.02 8.29 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.833 1.253 . . . . 0.0 109.938 -168.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -76.65 58.13 1.35 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.258 1.023 . . . . 0.0 111.286 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.04 133.4 38.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.866 2.066 . . . . 0.0 113.242 -170.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t -155.27 141.94 18.89 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.353 0.661 . . . . 0.0 111.155 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.09 -129.1 45.71 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.711 0.672 . . . . 0.0 112.344 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -53.23 -47.1 69.27 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.617 1.167 . . . . 0.0 112.657 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 -40.49 67.51 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.881 -1.137 . . . . 0.0 112.495 178.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -69.59 -41.93 75.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.95 0.9 . . . . 0.0 111.429 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.1 t -61.61 -45.45 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.091 0.86 . . . . 0.0 111.73 174.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.96 -46.84 87.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.54 1.136 . . . . 0.0 110.781 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -51.09 69.56 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.296 1.038 . . . . 0.0 111.971 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.68 -43.55 80.55 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 123.478 0.711 . . . . 0.0 111.57 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -63.18 -43.82 97.16 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.69 -32.96 73.14 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.423 -0.798 . . . . 0.0 112.631 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.21 -54.27 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.338 1.055 . . . . 0.0 111.219 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.25 -29.11 60.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -171.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 -158.4 41.4 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 125.177 1.37 . . . . 0.0 112.607 -172.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.7 -11.32 11.39 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.26 -25.28 65.1 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.555 1.142 . . . . 0.0 113.021 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.68 -170.13 52.96 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.73 1.157 . . . . 0.0 113.767 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -148.1 154.87 40.77 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.391 1.076 . . . . 0.0 112.457 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -81.31 -10.59 59.54 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.642 1.177 . . . . 0.0 114.173 -175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.79 -38.24 88.48 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -20.19 99.92 0.06 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.3 2.64 . . . . 0.0 113.9 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.67 160.33 38.05 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.845 3.03 . . . . 0.0 112.138 -164.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -79.43 23.03 0.41 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.273 2.229 . . . . 0.0 112.52 -178.754 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -79.4 -66.0 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 127.98 2.512 . . . . 0.0 113.058 1.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.37 -27.39 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -163.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.26 -6.96 26.66 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.702 1.201 . . . . 0.0 113.25 175.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -120.63 -48.26 2.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.277 1.431 . . . . 0.0 110.556 167.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.5 m -79.29 -2.06 39.6 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -170.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.49 -22.6 11.58 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 163.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -91.8 -24.82 19.28 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.385 1.474 . . . . 0.0 113.367 -173.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -149.65 -172.94 4.27 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.167 1.387 . . . . 0.0 111.674 178.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.8 134.12 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.151 0.98 . . . . 0.0 110.545 177.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 t -140.37 149.19 42.37 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.268 1.027 . . . . 0.0 111.243 174.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 m -149.11 156.86 42.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.516 -149.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -49.72 -44.61 48.44 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -72.08 -22.3 61.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -86.55 -44.81 11.63 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.435 1.094 . . . . 0.0 110.064 172.021 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.98 -34.29 71.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.502 1.521 . . . . 0.0 113.407 177.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.96 -27.45 65.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.514 0.726 . . . . 0.0 112.822 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -63.72 -18.26 63.84 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -106.69 7.4 30.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.847 1.259 . . . . 0.0 112.534 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.6 t -67.96 145.2 54.76 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.412 1.085 . . . . 0.0 111.395 174.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.898 0.879 . . . . 0.0 112.682 -176.713 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -138.76 149.25 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.393 1.877 . . . . 0.0 108.874 178.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -42.15 116.62 0.85 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.573 1.949 . . . . 0.0 113.039 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -163.86 -177.09 4.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.753 2.021 . . . . 0.0 109.388 -173.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -78.34 -11.19 59.92 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -175.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt 55.16 -153.43 0.32 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.597 2.359 . . . . 0.0 111.508 177.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t 86.53 -28.72 0.06 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.565 2.346 . . . . 0.0 114.87 157.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.38 69.83 2.24 Favored Glycine 0 N--CA 1.475 1.276 0 C-N-CA 125.261 1.41 . . . . 0.0 111.634 176.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m 75.17 -4.79 2.3 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.156 2.582 . . . . 0.0 112.817 -169.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -85.37 -154.4 0.19 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.733 2.013 . . . . 0.0 112.921 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 76.9 -54.68 0.56 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.242 3.017 . . . . 0.0 110.864 170.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.93 -43.29 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.622 1.169 . . . . 0.0 110.365 161.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.61 -45.53 89.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.141 1.376 . . . . 0.0 111.039 175.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.05 71.34 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.832 0.853 . . . . 0.0 111.135 176.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.45 -46.54 76.77 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.614 0.765 . . . . 0.0 111.905 175.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -60.1 -43.79 95.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.585 0.63 . . . . 0.0 112.468 175.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.91 -36.03 75.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.642 0.777 . . . . 0.0 112.517 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.02 -53.51 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.204 1.002 . . . . 0.0 111.204 173.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t -71.09 -22.55 62.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.424 1.089 . . . . 0.0 113.746 -174.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.63 -43.0 3.19 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.199 1.857 . . . . 0.0 114.534 168.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -164.71 158.35 17.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.978 1.311 . . . . 0.0 112.576 -176.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 73.83 4.0 4.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.822 2.449 . . . . 0.0 114.409 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.37 -144.6 19.98 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 125.218 1.389 . . . . 0.0 114.232 169.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -172.78 162.47 4.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.595 1.958 . . . . 0.0 111.702 -172.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -87.88 -8.88 55.22 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.82 -41.96 95.34 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.7 p -11.07 91.71 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.35 0 C-N-CA 129.185 2.994 . . . . 0.0 114.125 -171.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.57 159.98 42.01 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.836 3.024 . . . . 0.0 112.359 -166.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -153.4 136.45 15.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.943 1.297 . . . . 0.0 111.413 178.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.4 p . . . . . 0 C--O 1.252 1.195 0 C-N-CA 125.872 1.669 . . . . 0.0 113.279 178.507 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -55.63 -32.43 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.76 -26.81 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.803 1.641 . . . . 0.0 113.311 175.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.31 -14.1 60.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.235 1.014 . . . . 0.0 112.806 176.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -109.12 -84.26 0.55 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.692 1.597 . . . . 0.0 108.903 174.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -56.41 -40.36 74.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -161.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.7 m -70.8 -18.05 62.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -111.66 -30.98 7.13 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.372 1.869 . . . . 0.0 112.086 -173.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -156.33 147.88 22.66 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.803 1.641 . . . . 0.0 111.126 -176.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 mt -68.0 132.35 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.542 -0.724 . . . . 0.0 112.5 -161.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -122.08 163.16 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.319 1.448 . . . . 0.0 111.833 176.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -146.19 174.38 11.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.287 1.435 . . . . 0.0 110.768 -170.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -44.13 -45.59 8.3 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -72.48 -23.48 61.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -84.13 -47.36 10.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.568 1.147 . . . . 0.0 109.517 171.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 mt -58.84 -32.47 69.44 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.728 1.611 . . . . 0.0 113.204 179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.0 -26.78 66.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.707 0.803 . . . . 0.0 113.065 177.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -64.67 -17.49 64.12 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.974 -1.079 . . . . 0.0 113.758 177.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -107.35 5.85 27.83 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.418 177.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.04 141.58 49.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.259 1.423 . . . . 0.0 111.297 175.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.472 0.668 0 O-C-N 121.478 -0.763 . . . . 0.0 111.655 177.25 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.5 p90 . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.4 t -127.22 142.76 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.862 1.665 . . . . 0.0 109.519 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.98 134.35 55.65 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.473 1.109 . . . . 0.0 113.285 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -177.77 179.61 0.87 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 128.459 2.704 . . . . 0.0 108.332 -173.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -77.62 58.74 1.84 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.967 0.907 . . . . 0.0 111.927 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 mt -49.23 129.48 18.21 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.51 1.924 . . . . 0.0 111.749 -173.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -152.22 142.96 22.89 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.267 0.627 . . . . 0.0 112.145 -179.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.95 -123.47 28.4 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.329 0.49 . . . . 0.0 111.944 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -53.01 -53.09 55.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.544 1.138 . . . . 0.0 112.459 177.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -48.1 -43.43 30.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.902 1.281 . . . . 0.0 113.06 173.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.87 -38.37 57.97 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.822 0.849 . . . . 0.0 112.129 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.84 -42.5 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.986 0.915 . . . . 0.0 111.39 171.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.76 -47.74 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.723 1.209 . . . . 0.0 110.981 175.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.35 73.81 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.678 0.791 . . . . 0.0 111.554 177.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.33 -43.39 83.32 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.201 0.601 . . . . 0.0 111.956 176.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.53 -44.36 96.55 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.92 0.782 . . . . 0.0 112.432 174.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.7 mt -68.63 -31.82 71.25 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.529 0.732 . . . . 0.0 112.609 -178.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.21 -54.65 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.143 0.977 . . . . 0.0 111.362 170.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.2 t -79.28 -34.87 42.12 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -166.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.53 -171.86 31.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.622 1.582 . . . . 0.0 113.68 -174.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.91 -15.11 58.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.507 1.523 . . . . 0.0 114.613 -174.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.2 -16.69 63.8 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.101 1.36 . . . . 0.0 114.057 171.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.09 -171.23 54.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.999 1.285 . . . . 0.0 114.345 171.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -147.8 159.84 43.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.295 1.438 . . . . 0.0 111.92 -174.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -84.82 -13.74 50.15 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -173.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -80.18 88.99 5.43 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.257 0.935 . . . . 0.0 111.097 171.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -118.44 88.94 35.12 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 124.543 1.137 . . . . 0.0 108.452 174.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.66 161.22 44.53 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.039 3.159 . . . . 0.0 112.252 -169.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -158.82 136.63 10.34 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.88 1.272 . . . . 0.0 111.442 177.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.483 1.188 0 C-N-CA 125.358 1.463 . . . . 0.0 111.026 176.09 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tp -49.9 -46.53 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 125.689 1.596 . . . . 0.0 114.695 -164.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.4 -49.62 58.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 118.908 0.776 . . . . 0.0 110.641 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.64 -45.56 86.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.253 0.621 . . . . 0.0 111.473 -174.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -69.73 -21.84 63.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.4 m -104.69 -31.25 9.45 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.1 t -100.85 -28.68 12.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.228 1.011 . . . . 0.0 113.322 -174.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -103.82 -44.12 5.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.082 1.353 . . . . 0.0 110.536 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.0 m -97.71 179.89 4.67 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.161 0.984 . . . . 0.0 111.745 163.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.5 mm -98.11 137.91 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.666 1.186 . . . . 0.0 110.23 174.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -126.65 167.48 15.64 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.722 1.209 . . . . 0.0 112.998 176.06 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -145.1 167.46 22.67 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.145 1.378 . . . . 0.0 112.603 -174.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -47.58 -45.43 27.25 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.451 1.901 . . . . 0.0 115.457 -173.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -70.38 -23.21 62.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.324 -0.86 . . . . 0.0 113.252 -176.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.34 -44.32 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.21 1.004 . . . . 0.0 110.156 170.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.48 -30.44 68.54 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.597 1.159 . . . . 0.0 113.468 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.95 -26.17 67.33 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.506 -0.746 . . . . 0.0 112.804 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 177.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.53 5.76 31.71 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.988 1.315 . . . . 0.0 112.448 178.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.85 139.12 53.05 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.168 1.387 . . . . 0.0 111.442 174.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.758 0.789 . . . . 0.0 111.557 179.046 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -78.24 150.01 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.115 1.366 . . . . 0.0 109.781 175.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.82 127.72 24.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.388 1.075 . . . . 0.0 112.503 174.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -169.51 166.78 10.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.37 1.868 . . . . 0.0 109.684 -173.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -71.74 118.79 15.02 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.77 -0.581 . . . . 0.0 110.831 170.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.2 mt -108.02 122.88 47.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.738 1.615 . . . . 0.0 109.843 177.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 58.4 m -134.97 138.07 43.67 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.689 1.196 . . . . 0.0 110.094 -176.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.22 -121.79 25.25 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 123.868 0.747 . . . . 0.0 112.932 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -53.52 -38.78 64.08 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.924 1.29 . . . . 0.0 113.419 177.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.6 94.93 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.207 -0.933 . . . . 0.0 111.627 177.095 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -43.36 74.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.377 1.471 . . . . 0.0 110.242 176.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.3 t -59.03 -49.23 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.321 1.049 . . . . 0.0 111.927 174.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.74 -32.52 69.71 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.058 0.844 . . . . 0.0 112.461 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.67 68.19 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.992 0.815 . . . . 0.0 111.296 171.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 24.0 mt -54.9 -44.93 74.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.663 0.785 . . . . 0.0 111.432 175.226 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.06 -40.75 98.64 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 175.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 tp -68.23 -39.7 82.23 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.422 1.01 . . . . 0.0 111.82 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -66.11 -52.11 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.554 1.142 . . . . 0.0 110.851 175.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.32 -34.17 63.39 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -174.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.1 -161.01 39.18 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.004 1.288 . . . . 0.0 112.483 -170.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.55 -12.64 16.24 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -61.2 -30.89 70.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.902 1.281 . . . . 0.0 113.175 173.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 -173.19 47.39 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.433 1.016 . . . . 0.0 113.369 -177.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 24.6 p80 -144.98 158.22 43.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.324 1.05 . . . . 0.0 112.902 -174.704 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -85.08 -9.73 57.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.756 1.222 . . . . 0.0 114.181 -177.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -64.72 -37.22 86.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -175.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.3 p -21.61 99.84 0.06 OUTLIER Pre-proline 0 N--CA 1.487 1.377 0 C-N-CA 128.332 2.653 . . . . 0.0 113.537 -168.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.2 140.72 25.24 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.231 2.62 . . . . 0.0 111.411 -161.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -151.19 144.18 24.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 128.642 2.777 . . . . 0.0 111.258 -2.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.07 1.748 . . . . 0.0 113.447 179.434 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -53.73 -37.39 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 C-N-CA 125.303 1.441 . . . . 0.0 114.059 -172.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.5 t -67.0 -21.01 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.927 1.291 . . . . 0.0 112.158 -178.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.23 -3.39 31.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.663 1.585 . . . . 0.0 112.49 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -133.29 -52.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.158 0.983 . . . . 0.0 112.319 -163.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.23 -45.25 6.58 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.566 1.146 . . . . 0.0 110.729 176.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 137.08 50.18 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.514 -0.741 . . . . 0.0 109.691 171.384 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p 76.74 7.23 3.26 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 128.682 2.793 . . . . 0.0 113.978 178.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 t -138.1 174.77 10.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.261 1.424 . . . . 0.0 111.141 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.23 116.87 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.224 -0.923 . . . . 0.0 109.258 174.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -136.79 95.72 3.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.057 0.943 . . . . 0.0 110.638 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -88.34 174.9 7.89 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.816 1.246 . . . . 0.0 112.627 -177.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -48.54 -42.61 33.9 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -174.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -74.24 -22.15 59.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -82.72 -47.79 11.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 108.981 171.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.5 -36.54 69.29 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.322 1.849 . . . . 0.0 113.024 178.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.47 -27.24 65.94 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -63.95 -17.34 63.16 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.88 7.69 28.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.875 1.27 . . . . 0.0 112.166 176.285 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -73.81 166.17 23.8 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.005 0.922 . . . . 0.0 111.251 168.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 124.495 1.118 . . . . 0.0 114.005 177.11 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 p90 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.12 165.26 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 126.959 2.104 . . . . 0.0 108.721 -177.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -59.58 103.82 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 O-C-N 120.717 -1.239 . . . . 0.0 110.378 165.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -162.32 169.83 19.92 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.945 1.298 . . . . 0.0 110.555 -166.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.0 69.56 3.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.438 1.095 . . . . 0.0 112.525 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 98.9 mt -59.21 134.9 57.41 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.128 1.371 . . . . 0.0 111.532 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 178.67 158.02 0.51 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.686 1.994 . . . . 0.0 111.941 168.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.74 63.62 4.03 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.395 1.474 . . . . 0.0 116.626 161.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -113.17 15.32 19.46 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.414 2.686 . . . . 0.0 112.741 3.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -46.06 -33.97 3.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.86 2.064 . . . . 0.0 114.301 -171.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -45.17 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.948 2.099 . . . . 0.0 112.547 172.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -69.02 -39.9 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.849 1.26 . . . . 0.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.92 -45.12 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.709 1.204 . . . . 0.0 110.792 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.32 -47.86 80.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.353 1.061 . . . . 0.0 111.698 176.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -57.97 -42.53 85.23 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.56 175.315 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -61.36 -43.1 99.44 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.421 1.009 . . . . 0.0 112.376 173.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.06 -35.15 79.21 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.45 -0.781 . . . . 0.0 112.685 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.61 -52.5 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.543 1.137 . . . . 0.0 111.778 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -79.18 -22.53 44.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.419 1.487 . . . . 0.0 114.273 -171.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.57 -165.37 42.4 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 126.181 1.848 . . . . 0.0 113.868 177.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -57.18 -17.35 10.82 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.999 1.719 . . . . 0.0 113.763 177.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -60.62 -35.63 76.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.82 1.648 . . . . 0.0 112.865 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.15 147.93 7.53 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.466 1.508 . . . . 0.0 113.495 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.73 163.31 12.87 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.935 1.694 . . . . 0.0 112.691 172.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -85.27 -15.45 43.4 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -66.25 -42.5 88.48 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -174.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.3 p -3.98 86.53 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.427 0 C-N-CA 129.269 3.028 . . . . 0.0 114.289 -176.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.42 159.45 46.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.073 3.182 . . . . 0.0 112.378 -166.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -154.36 137.39 15.51 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.941 1.297 . . . . 0.0 111.45 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.252 1.186 0 C-N-CA 126.174 1.789 . . . . 0.0 112.584 -179.848 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.984 -0.446 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 tp -48.44 -43.45 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 125.981 1.712 . . . . 0.0 114.583 -171.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.74 -25.86 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -176.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.03 -13.51 61.62 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.812 0.845 . . . . 0.0 112.342 176.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -100.83 -56.9 2.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.405 1.082 . . . . 0.0 110.401 172.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.88 -26.39 57.02 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.1 m -91.23 98.61 11.84 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.123 0.969 . . . . 0.0 109.988 164.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -119.43 109.8 16.18 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 130.241 3.416 . . . . 0.0 109.611 -7.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -163.39 155.53 17.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.648 1.579 . . . . 0.0 110.66 175.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.2 123.98 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.955 -175.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.98 135.4 49.86 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.913 1.285 . . . . 0.0 110.837 174.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.9 m -133.52 161.34 34.87 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.187 0.995 . . . . 0.0 113.245 -168.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.67 -43.51 26.43 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 115.726 1.751 . . . . 0.0 115.726 -172.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -72.84 -23.78 60.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.22 -49.94 10.17 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.612 1.165 . . . . 0.0 108.608 170.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -29.48 66.68 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.683 1.593 . . . . 0.0 113.222 -178.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 23.5 tt0 -61.01 -27.17 68.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 176.358 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.25 -16.33 63.93 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.171 -0.956 . . . . 0.0 113.571 176.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -103.79 2.84 33.33 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.741 1.216 . . . . 0.0 112.268 177.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -69.77 147.72 50.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.591 0.756 . . . . 0.0 111.894 174.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 CA--C 1.541 0.618 0 C-N-CA 123.549 0.739 . . . . 0.0 111.946 178.74 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -103.51 151.77 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.945 1.698 . . . . 0.0 109.622 179.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -55.89 111.93 1.05 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.019 1.328 . . . . 0.0 110.854 174.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -162.26 175.7 11.36 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.338 1.055 . . . . 0.0 111.384 -169.098 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -76.44 70.76 3.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.142 1.377 . . . . 0.0 111.919 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.99 114.1 1.97 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.984 1.314 . . . . 0.0 112.273 -170.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.7 t -170.13 145.23 2.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.395 0.678 . . . . 0.0 111.739 -162.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.3 -98.98 0.68 Allowed Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.397 0.999 . . . . 0.0 112.787 170.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.8 p -77.25 18.39 0.4 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.287 1.835 . . . . 0.0 113.453 172.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 168.76 25.98 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 128.256 2.622 . . . . 0.0 112.162 179.143 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.7 tp 111.97 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.69 1 C-N-CA 132.909 4.484 . . . . 0.0 112.012 175.436 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.12 -37.41 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.033 0.933 . . . . 0.0 109.758 172.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -60.98 -52.98 62.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 130.256 3.422 . . . . 0.0 110.388 174.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -51.05 68.77 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.853 1.261 . . . . 0.0 111.555 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.433 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 29.6 mt -53.89 -48.07 70.46 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.095 0.558 . . . . 0.0 110.259 174.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.14 -40.24 84.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.449 1.022 . . . . 0.0 113.277 175.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -67.82 -35.3 78.37 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.075 -1.016 . . . . 0.0 112.813 176.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.17 -54.6 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.69 1.196 . . . . 0.0 111.166 174.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.6 m -78.36 -21.79 48.9 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.43 1.892 . . . . 0.0 114.683 -170.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.57 -162.73 54.16 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.615 1.102 . . . . 0.0 113.053 -175.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.56 -20.05 59.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.037 1.335 . . . . 0.0 113.194 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -65.3 -27.78 68.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.48 1.112 . . . . 0.0 112.63 173.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -164.45 54.77 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.121 1.343 . . . . 0.0 115.091 170.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 17.2 p80 -145.14 164.13 32.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.818 2.047 . . . . 0.0 111.745 -173.079 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -89.17 -9.38 51.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -175.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -66.16 -46.21 78.23 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.274 0.943 . . . . 0.0 112.82 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -2.06 83.79 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 C-N-CA 129.221 3.008 . . . . 0.0 114.523 -177.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.12 156.89 51.31 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.057 3.171 . . . . 0.0 112.225 -168.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.03 123.08 21.26 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.478 0.711 . . . . 0.0 111.435 174.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.922 1.689 . . . . 0.0 113.189 178.05 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.26 1.9 tp 179.93 -90.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 129.133 2.973 . . . . 0.0 108.422 179.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -77.37 117.65 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 160.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 60.55 98.14 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.586 1.554 . . . . 0.0 108.582 -138.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.16 -39.72 94.62 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 129.345 3.058 . . . . 0.0 114.826 10.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.6 m -68.97 149.91 48.29 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.383 0.992 . . . . 0.0 112.365 -168.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t 72.31 -35.61 0.33 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.42 2.288 . . . . 0.0 113.497 -177.497 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.1 m -71.73 -40.28 69.54 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.949 1.7 . . . . 0.0 110.109 165.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -140.48 -177.54 5.09 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.71 1.604 . . . . 0.0 111.828 173.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.06 137.07 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.918 1.287 . . . . 0.0 110.557 177.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.16 144.9 46.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.832 0.825 . . . . 0.0 112.003 162.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -148.08 161.56 41.15 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.322 2.249 . . . . 0.0 108.956 -172.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -47.07 -44.29 20.82 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -170.13 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -72.44 -22.88 61.03 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -88.61 -41.25 12.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.372 1.069 . . . . 0.0 110.462 171.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -60.09 -33.0 71.49 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.386 1.475 . . . . 0.0 113.063 177.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -59.02 -26.69 64.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.647 1.179 . . . . 0.0 112.919 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.66 -17.62 63.12 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.149 -0.969 . . . . 0.0 113.609 174.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -108.35 7.94 27.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.613 1.565 . . . . 0.0 112.416 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -79.11 142.3 36.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.676 1.19 . . . . 0.0 111.395 175.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 123.854 0.862 . . . . 0.0 112.342 -179.116 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 p90 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 t 76.19 132.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 128.743 2.817 . . . . 0.0 112.151 173.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -58.15 126.2 26.46 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.313 1.045 . . . . 0.0 112.056 173.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -171.2 177.52 3.6 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.764 1.626 . . . . 0.0 109.914 -172.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -75.04 64.8 1.39 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.925 1.29 . . . . 0.0 111.336 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.7 mt -55.49 122.75 11.94 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.771 1.628 . . . . 0.0 112.379 -173.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -176.5 3.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.708 1.603 . . . . 0.0 109.643 176.383 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.21 133.39 26.23 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 120.878 -1.139 . . . . 0.0 111.111 173.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.3 p -88.68 -14.67 36.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.346 3.058 . . . . 0.0 114.79 -0.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -38.81 10.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.084 1.754 . . . . 0.0 114.616 -174.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -34.33 77.72 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.684 1.594 . . . . 0.0 111.635 177.116 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.22 -44.97 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.428 1.091 . . . . 0.0 110.45 175.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.34 -45.48 92.99 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.295 1.038 . . . . 0.0 110.774 177.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.92 70.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.768 1.227 . . . . 0.0 112.024 176.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.92 -37.76 80.39 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.971 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -65.1 -41.34 95.05 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.588 1.085 . . . . 0.0 112.503 172.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -65.26 -38.66 91.0 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.19 0.905 . . . . 0.0 112.251 176.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.66 -52.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.587 1.155 . . . . 0.0 111.608 176.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 t -87.16 -20.16 27.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -169.259 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.03 -168.38 50.73 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.988 1.28 . . . . 0.0 114.217 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.96 -17.51 63.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.378 1.471 . . . . 0.0 114.506 -173.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -5.84 45.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 175.565 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.18 -178.18 51.71 Favored Glycine 0 N--CA 1.47 0.954 0 C-N-CA 124.926 1.25 . . . . 0.0 114.718 167.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -143.72 159.18 42.96 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 126.123 1.769 . . . . 0.0 112.067 -175.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -85.69 -9.49 57.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -172.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -64.37 -40.33 95.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.6 p -15.05 95.09 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.32 0 C-N-CA 128.908 2.883 . . . . 0.0 113.966 -169.188 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.74 159.83 41.7 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.843 3.029 . . . . 0.0 112.359 -164.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -153.84 136.26 15.01 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.03 1.332 . . . . 0.0 111.372 178.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.832 1.653 . . . . 0.0 113.367 179.094 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.44 HD12 ' CD2' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -67.0 157.7 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 111.097 175.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -64.09 -19.82 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 1 C-N-CA 132.749 4.42 . . . . 0.0 115.522 1.051 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.63 165.13 12.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.206 1.002 . . . . 0.0 112.383 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 77.48 -58.86 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 128.48 2.712 . . . . 0.0 109.985 -176.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.13 -38.46 69.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.749 0.82 . . . . 0.0 112.75 -176.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.34 -21.56 53.17 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 167.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -83.18 -37.34 23.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.853 1.661 . . . . 0.0 112.359 -171.379 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -140.92 -167.76 2.44 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.929 1.292 . . . . 0.0 111.917 -178.028 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.21 123.04 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 120.992 -1.068 . . . . 0.0 110.577 176.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -119.56 148.92 42.74 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.505 1.522 . . . . 0.0 111.619 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.9 m -157.55 161.66 38.78 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.347 1.459 . . . . 0.0 110.786 -165.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -42.0 -48.76 4.64 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.096 1.758 . . . . 0.0 115.716 -178.243 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -70.21 -25.31 63.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -82.97 -43.45 16.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.302 1.041 . . . . 0.0 109.91 171.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.38 -35.86 72.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.167 1.387 . . . . 0.0 112.616 177.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 25.6 tt0 -60.08 -26.51 66.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.632 0.773 . . . . 0.0 113.054 177.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.9 -20.15 65.63 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.286 -0.884 . . . . 0.0 113.364 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD2' HD12 ' A' ' 2' ' ' ILE . 9.9 m-85 -105.55 8.14 33.2 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.971 1.308 . . . . 0.0 112.406 179.592 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 86.2 m -72.1 151.28 43.17 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.377 -0.827 . . . . 0.0 112.399 175.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 111.656 174.61 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 p90 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 t 77.69 144.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.984 2.514 . . . . 0.0 111.692 174.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -50.88 130.33 25.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.307 1.443 . . . . 0.0 112.96 175.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -169.92 167.46 9.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.98 1.312 . . . . 0.0 111.149 -172.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -73.94 118.74 17.25 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 164.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 tp -132.39 124.05 27.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.964 0.906 . . . . 0.0 110.506 -158.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -155.77 150.98 26.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.97 -126.12 25.98 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 123.931 0.777 . . . . 0.0 112.216 177.109 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m -53.86 -42.96 69.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.016 0.926 . . . . 0.0 112.246 175.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -56.91 -42.33 79.77 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.135 0.974 . . . . 0.0 112.014 175.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -68.47 -46.46 69.7 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.762 0.825 . . . . 0.0 110.779 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.22 -46.65 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 118.591 0.632 . . . . 0.0 112.267 178.04 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -67.72 -37.96 82.94 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.33 0.514 . . . . 0.0 111.856 -177.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.61 -47.44 66.68 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.126 0.971 . . . . 0.0 112.026 175.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 39.1 mt -54.34 -49.38 69.87 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 118.82 -0.609 . . . . 0.0 109.949 174.827 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -58.13 -40.59 81.68 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.409 1.004 . . . . 0.0 113.133 174.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.88 -38.92 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.404 1.002 . . . . 0.0 112.519 178.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -71.66 -54.44 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.063 1.345 . . . . 0.0 111.18 177.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -75.38 -23.59 57.13 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.059 1.744 . . . . 0.0 114.367 -172.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.13 52.29 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.571 1.081 . . . . 0.0 113.125 -177.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -59.62 -21.0 59.81 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.164 1.385 . . . . 0.0 113.416 178.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.85 -30.74 71.8 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.555 1.142 . . . . 0.0 112.564 173.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.41 -162.09 54.46 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.039 1.304 . . . . 0.0 114.508 174.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 15.6 p80 -149.95 158.48 44.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.505 1.922 . . . . 0.0 111.517 -173.384 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -81.96 -15.03 55.18 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -81.47 100.83 9.53 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.247 1.019 . . . . 0.0 111.782 177.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.7 p -132.34 83.72 54.1 Favored Pre-proline 0 N--CA 1.472 0.667 0 C-N-CA 124.604 1.162 . . . . 0.0 108.48 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.47 136.72 40.62 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.764 2.976 . . . . 0.0 112.244 -164.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 119.0 17.43 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.141 2.177 . . . . 0.0 111.828 -5.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.734 1.614 . . . . 0.0 112.169 -172.322 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.45 -47.33 59.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 125.24 1.416 . . . . 0.0 113.938 -169.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -68.31 -36.33 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.1 0.56 . . . . 0.0 110.774 -175.452 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.51 -54.22 26.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.247 0.619 . . . . 0.0 109.952 178.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.12 -38.05 81.8 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -76.71 -22.66 53.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.015 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 t -92.44 -22.75 19.44 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.797 1.181 . . . . 0.0 113.163 178.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -97.21 -18.76 19.05 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.911 1.284 . . . . 0.0 113.956 175.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -141.67 176.83 8.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.801 1.24 . . . . 0.0 112.041 175.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -69.31 133.06 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.804 -1.185 . . . . 0.0 111.16 -177.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 m -117.62 148.3 42.06 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.897 0.879 . . . . 0.0 111.919 163.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.3 m -150.01 160.81 43.34 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.038 1.735 . . . . 0.0 110.217 -168.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -48.45 -44.51 35.54 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -72.29 -22.48 61.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -87.0 -42.69 12.91 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.523 1.129 . . . . 0.0 110.166 171.244 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.93 -31.53 71.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.951 1.3 . . . . 0.0 113.33 178.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.9 -26.62 64.47 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.993 0.917 . . . . 0.0 112.855 177.477 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -64.56 -17.1 63.64 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 176.401 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -106.53 6.91 30.55 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 0.0 112.645 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.66 141.14 49.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.841 1.257 . . . . 0.0 111.416 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 N--CA 1.473 0.703 0 O-C-N 121.537 -0.727 . . . . 0.0 111.481 174.989 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.08 157.8 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.111 1.764 . . . . 0.0 110.528 174.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -53.24 129.85 32.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.286 1.034 . . . . 0.0 113.217 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -176.4 -172.72 0.49 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.753 2.421 . . . . 0.0 109.105 -174.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -78.78 117.51 19.97 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.541 0.737 . . . . 0.0 110.55 169.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.17 117.91 35.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.748 2.019 . . . . 0.0 110.04 -178.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 29.2 m -131.19 127.23 37.51 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.011 1.324 . . . . 0.0 110.019 -177.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.66 -115.42 7.75 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 123.77 0.7 . . . . 0.0 113.489 171.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.7 p -53.84 -51.08 64.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.562 1.145 . . . . 0.0 112.428 178.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -53.02 -40.8 64.14 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.028 -1.045 . . . . 0.0 113.081 174.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.27 -46.3 74.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.511 0.724 . . . . 0.0 111.187 176.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 68.2 t -61.68 -44.63 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.896 0.771 . . . . 0.0 112.149 176.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.04 -46.92 87.01 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.946 1.298 . . . . 0.0 110.982 178.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.52 78.62 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.777 0.831 . . . . 0.0 112.143 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -56.66 -41.86 77.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.505 0.722 . . . . 0.0 111.656 176.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.93 -40.73 91.66 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 173.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.32 -35.97 80.52 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.519 1.054 . . . . 0.0 112.384 177.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.6 -56.19 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.441 1.096 . . . . 0.0 111.156 174.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.4 t -77.56 -25.0 49.72 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.8 -158.39 42.8 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.369 1.462 . . . . 0.0 112.88 -176.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.84 -7.88 9.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.162 1.385 . . . . 0.0 114.058 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -58.4 -30.34 66.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.421 1.488 . . . . 0.0 112.869 170.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.23 -176.34 41.26 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.721 1.153 . . . . 0.0 112.815 -173.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -146.31 158.79 43.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.585 1.154 . . . . 0.0 111.727 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -79.06 -13.58 59.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -174.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -81.74 83.26 7.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.325 -0.859 . . . . 0.0 111.565 171.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -113.85 89.29 15.91 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 124.733 1.213 . . . . 0.0 109.742 175.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.51 159.61 42.73 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.687 2.925 . . . . 0.0 112.176 -176.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -72.73 131.46 42.38 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.133 0.573 . . . . 0.0 112.109 170.576 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.674 1.59 . . . . 0.0 110.854 171.391 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -54.42 -34.94 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 125.296 1.439 . . . . 0.0 114.816 -170.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.18 -22.54 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.718 1.607 . . . . 0.0 111.991 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -69.79 -15.48 63.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.267 1.027 . . . . 0.0 112.878 176.245 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.3 -45.81 1.0 Allowed 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.427 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -80.76 -33.12 35.26 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.49 1.495 . . . . 0.0 113.216 -171.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.4 m -86.69 106.0 17.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.169 0.988 . . . . 0.0 110.24 167.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -122.61 109.08 13.84 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.37 3.068 . . . . 0.0 107.88 -4.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -162.71 178.75 8.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.349 1.459 . . . . 0.0 111.175 -174.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.83 125.13 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.521 -0.737 . . . . 0.0 109.877 173.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 m -130.86 148.1 52.59 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.453 1.101 . . . . 0.0 110.814 165.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -138.19 164.3 29.53 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.309 1.444 . . . . 0.0 110.99 -168.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -45.65 -45.42 13.98 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -170.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -72.27 -21.22 61.4 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -88.57 -45.13 10.14 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.473 1.109 . . . . 0.0 109.907 170.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.33 -31.76 72.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.321 1.448 . . . . 0.0 113.444 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.86 -27.77 66.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.095 0.958 . . . . 0.0 112.911 177.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -63.04 -17.27 62.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 176.217 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -107.3 7.59 29.33 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.054 1.342 . . . . 0.0 112.206 175.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.66 142.33 51.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.87 0.868 . . . . 0.0 110.619 171.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -167.893 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 53.1 t -134.29 147.57 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.583 1.953 . . . . 0.0 108.222 176.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -49.42 124.22 8.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.479 1.112 . . . . 0.0 112.9 178.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -168.45 174.66 6.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.068 2.147 . . . . 0.0 108.828 -172.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -72.28 98.99 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.905 -0.497 . . . . 0.0 111.79 178.231 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.06 162.48 19.3 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.586 1.154 . . . . 0.0 111.521 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 27.0 t -176.73 160.07 1.89 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.481 2.312 . . . . 0.0 109.573 157.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.64 -126.53 42.49 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 123.961 0.791 . . . . 0.0 113.151 169.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -52.61 -46.79 67.17 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.361 1.064 . . . . 0.0 112.434 176.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -35.0 73.94 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.575 -1.328 . . . . 0.0 113.047 177.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -73.46 -37.87 65.64 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.664 0.786 . . . . 0.0 111.582 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.88 -44.48 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.597 0.759 . . . . 0.0 111.442 169.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.32 -45.95 90.93 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.883 1.273 . . . . 0.0 111.01 177.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.69 -51.27 69.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.807 0.843 . . . . 0.0 111.524 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.92 -42.82 80.68 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.942 0.497 . . . . 0.0 111.927 176.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.6 -44.4 97.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.641 0.776 . . . . 0.0 112.197 174.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.76 -31.54 69.55 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.311 -0.868 . . . . 0.0 112.778 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.03 -54.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.177 0.991 . . . . 0.0 111.59 172.253 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.6 t -73.37 -30.03 63.02 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.483 1.113 . . . . 0.0 113.949 -171.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.15 -160.02 16.94 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.778 1.656 . . . . 0.0 112.964 -178.006 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.02 -17.6 64.99 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.816 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -69.27 132.94 47.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.812 1.645 . . . . 0.0 111.53 170.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.62 117.45 4.41 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.299 0.952 . . . . 0.0 112.873 -173.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -65.56 160.48 22.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.809 1.244 . . . . 0.0 113.634 172.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -86.28 -9.31 56.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 -173.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -65.14 -40.92 95.09 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 28.9 p -20.72 99.13 0.05 OUTLIER Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 128.443 2.697 . . . . 0.0 113.751 -167.061 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.16 158.24 41.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.658 2.905 . . . . 0.0 112.545 -164.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.52 145.85 36.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.104 0.562 . . . . 0.0 112.461 165.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.293 1.837 . . . . 0.0 112.428 178.575 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -170.95 -50.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 127.088 2.155 . . . . 0.0 111.642 177.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t -63.12 -31.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.857 1.263 . . . . 0.0 110.849 -177.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.18 -19.63 61.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.404 1.882 . . . . 0.0 113.047 174.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -104.88 -55.24 2.36 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.812 1.245 . . . . 0.0 110.19 171.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.3 m -63.0 -30.44 71.6 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -172.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -84.6 -13.46 51.58 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.055 -1.028 . . . . 0.0 113.15 174.65 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.7 m -102.31 -34.59 9.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.601 1.96 . . . . 0.0 111.889 -173.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -145.51 177.67 8.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.817 . . . . 0.0 111.624 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -65.19 133.09 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.042 -1.036 . . . . 0.0 110.275 177.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.39 127.2 37.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.847 0.832 . . . . 0.0 112.523 166.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.7 m -121.2 174.77 6.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.676 1.591 . . . . 0.0 112.225 -171.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -41.66 -47.5 3.96 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -176.268 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -70.96 -24.31 62.39 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -178.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -82.71 -45.33 14.58 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.676 1.19 . . . . 0.0 109.206 170.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.84 -32.63 72.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.65 1.58 . . . . 0.0 113.352 -179.281 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.81 -26.63 64.29 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.774 0.829 . . . . 0.0 112.878 177.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -64.51 -17.19 63.67 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 176.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -107.7 6.6 27.84 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.124 1.369 . . . . 0.0 112.542 176.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.41 139.0 49.57 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.74 1.216 . . . . 0.0 111.103 175.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 121.483 -0.76 . . . . 0.0 111.451 175.868 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.96 145.21 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.128 1.371 . . . . 0.0 110.916 -177.532 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.2 98.76 1.76 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.878 1.271 . . . . 0.0 110.074 172.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -156.34 -174.75 5.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 -172.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -80.9 70.16 7.64 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.239 1.416 . . . . 0.0 111.663 -177.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.89 121.11 8.52 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.143 1.377 . . . . 0.0 111.701 -171.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -164.18 -110.72 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.25 107.72 3.58 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.368 1.461 . . . . 0.0 112.185 -178.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -111.51 126.36 54.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.869 2.868 . . . . 0.0 110.152 -10.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -176.49 -159.5 0.06 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.169 2.588 . . . . 0.0 110.76 -167.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp 75.79 -50.05 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.212 3.005 . . . . 0.0 112.214 166.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.0 -47.72 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.119 1.367 . . . . 0.0 110.841 167.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.87 -37.77 82.23 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.29 0.636 . . . . 0.0 112.166 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -49.59 75.79 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.556 -0.715 . . . . 0.0 111.94 172.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 24' ' ' HIS . 31.3 mt -57.7 -42.12 83.05 Favored 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 123.839 0.856 . . . . 0.0 111.905 176.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -63.43 -43.02 98.65 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.845 0.748 . . . . 0.0 112.458 173.367 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.77 -32.89 72.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.06 0.845 . . . . 0.0 112.519 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.6 t -72.33 -56.33 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.447 1.099 . . . . 0.0 111.267 172.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.42 -25.57 46.09 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -169.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.12 -158.09 41.8 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.402 1.477 . . . . 0.0 113.047 -176.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.39 -14.04 16.63 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.814 1.646 . . . . 0.0 113.781 -179.285 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -55.75 -31.14 62.29 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.781 1.632 . . . . 0.0 113.346 173.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.28 -173.66 48.49 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.69 1.138 . . . . 0.0 113.043 -174.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' B' ' 15' ' ' LEU . 28.0 p80 -152.61 161.36 42.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.524 1.13 . . . . 0.0 112.228 -176.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -86.91 -11.64 50.06 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -174.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -81.45 82.16 7.34 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.357 0.98 . . . . 0.0 111.209 170.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 23.3 p -113.41 89.3 14.66 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 124.854 1.262 . . . . 0.0 109.069 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.18 158.53 48.86 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.655 2.903 . . . . 0.0 111.973 -174.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -70.35 119.4 14.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.579 0.752 . . . . 0.0 111.387 176.248 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.921 2.088 . . . . 0.0 114.232 174.534 . . . . . . . . 0 0 . 1 stop_ save_