data_1dgu_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 1dgu _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -71.57 -34.91 70.36 Favored 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.63 150.31 25.25 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 171.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -105.47 71.75 0.94 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 111.336 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -146.92 -59.4 0.28 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.99 -1.069 . . . . 0.0 113.38 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.13 93.14 6.38 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -162.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.254 26.0 tt0 54.14 62.22 2.69 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 170.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -86.09 91.29 8.37 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 112.293 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -74.1 85.95 1.85 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 122.53 1.157 . . . . 0.0 112.069 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -132.53 75.5 1.63 Allowed 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.686 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.3 89.98 3.17 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.159 -0.963 . . . . 0.0 109.705 166.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 p -140.89 154.57 46.2 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.638 1.209 . . . . 0.0 112.59 -153.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.09 29.22 0.48 Allowed 'General case' 0 CA--C 1.583 2.231 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.0 120.03 36.58 Favored 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.5 p -69.38 168.92 13.38 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.117 0.967 . . . . 0.0 113.082 168.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -47.74 -41.11 22.25 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -74.22 -41.43 61.37 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.13 -43.54 78.32 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.27 -50.48 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.308 1.043 . . . . 0.0 113.066 164.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.98 -47.67 82.29 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.22 -53.5 56.49 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.43 -41.55 66.18 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 167.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -57.42 -42.3 82.07 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.78 -42.29 98.81 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -57.12 13.3 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 165.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -48.05 -40.58 23.44 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 166.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -62.45 -50.9 69.63 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.36 -44.39 75.94 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 120.953 1.706 . . . . 0.0 115.577 166.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.46 -33.02 67.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 166.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.77 -46.66 75.91 Favored Pre-proline 0 CA--C 1.582 2.205 0 N-CA-C 121.526 3.898 . . . . 0.0 121.526 -174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -106.25 86.94 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.116 0 CA-C-N 123.538 2.299 . . . . 0.0 115.901 -157.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -133.74 -58.63 0.86 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.151 -0.968 . . . . 0.0 111.107 161.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -61.44 -45.69 93.21 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -96.66 89.2 4.87 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 120.691 -1.256 . . . . 0.0 110.816 152.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -68.59 -58.83 3.7 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 116.469 2.025 . . . . 0.0 116.469 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -100.77 -57.72 2.04 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.3 m -81.16 115.98 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.101 -0.999 . . . . 0.0 111.152 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -85.45 83.59 7.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 111.394 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -91.87 -48.55 6.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -171.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.1 p -90.17 90.58 8.16 Favored 'General case' 0 CA--C 1.567 1.629 0 O-C-N 120.941 -1.1 . . . . 0.0 112.624 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.0 -69.88 0.47 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -80.72 65.46 5.87 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.115 1.78 . . . . 0.0 112.733 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.4 -59.9 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 125.548 1.539 . . . . 0.0 109.988 -168.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.97 125.24 33.23 Favored 'General case' 0 CA--C 1.568 1.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.52 163.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -99.05 123.66 48.21 Favored Pre-proline 0 CA--C 1.578 2.019 1 O-C-N 114.671 -5.018 . . . . 0.0 113.461 47.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -93.88 167.85 2.07 Favored 'Trans proline' 0 CA--C 1.563 1.942 0 C-N-CA 122.74 2.293 . . . . 0.0 115.127 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . 0.301 33.3 p90 -53.94 -37.91 64.36 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 117.163 2.283 . . . . 0.0 117.163 169.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.1 -46.13 53.33 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 164.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -74.22 -32.45 63.02 Favored 'General case' 0 CA--C 1.576 1.944 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.254 12.5 mm -64.98 -52.37 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.172 0.989 . . . . 0.0 112.86 164.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 tt -53.85 -18.96 3.76 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 165.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -54.28 -39.29 66.79 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 145.38 29.82 Favored Pre-proline 0 CA--C 1.589 2.474 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . 0.297 26.5 Cg_exo -26.57 -70.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.194 2 N-CA-C 124.898 4.922 . . . . 0.0 124.898 -176.264 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.69 27.72 0.72 Allowed 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mp -111.85 54.04 0.71 Allowed 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.488 -1.383 . . . . 0.0 110.118 171.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -130.17 -74.71 0.54 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.802 0.841 . . . . 0.0 109.871 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.79 55.24 3.1 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 122.769 1.271 . . . . 0.0 112.562 163.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -112.59 92.84 21.05 Favored Pre-proline 0 CA--C 1.566 1.564 0 N-CA-C 103.26 -2.867 . . . . 0.0 103.26 162.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -57.24 -19.83 36.17 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 118.158 2.33 . . . . 0.0 118.158 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -91.52 5.01 51.17 Favored 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.304 17.9 mmtt -64.09 -43.21 96.09 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 123.99 3.086 . . . . 0.0 117.066 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.36 -33.04 75.02 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 166.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.16 -50.69 70.85 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 168.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.37 46.4 mt -51.66 -55.8 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 125.469 1.508 . . . . 0.0 112.695 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.9 t -43.45 -50.81 6.88 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 118.194 2.664 . . . . 0.0 118.194 164.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.96 -40.72 95.44 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.35 -43.73 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 CA-C-N 119.67 1.123 . . . . 0.0 113.022 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' CG ' HD21 ' A' ' 86' ' ' LEU . 18.4 m-30 -50.91 -52.7 39.44 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 172.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -124.35 -69.06 0.82 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.97 1.843 . . . . 0.0 109.948 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.4 m -89.85 -65.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.858 1 O-C-N 109.83 -8.044 . . . . 0.0 112.666 -79.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . 0.615 91.3 p 75.86 -101.94 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.19 0 CA-C-O 114.671 -2.585 . . . . 0.0 114.232 -167.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.44 162.88 35.35 Favored 'Trans proline' 0 CA--C 1.571 2.361 0 CA-C-N 127.593 3.748 . . . . 0.0 115.828 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.05 135.12 50.33 Favored 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.396 14.2 mptt 77.81 -39.35 0.29 Allowed 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.85 91.68 1.99 Allowed 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 120.726 1.603 . . . . 0.0 111.151 164.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -128.39 -120.86 0.24 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.365 -168.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.296 0.4 OUTLIER -84.13 93.52 8.15 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 121.566 1.985 . . . . 0.0 112.273 -159.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.8 p -68.63 164.88 20.49 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.15 -39.24 78.32 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.35 -51.76 68.1 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 169.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -50.82 -51.46 50.81 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.374 160.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . 0.353 22.3 t80 -43.77 -43.33 6.03 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 171.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.72 -53.89 6.38 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.16 -43.88 21.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.511 HD21 ' CG ' ' A' ' 69' ' ' PHE . 3.6 pp -55.1 -60.42 3.41 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 171.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.34 -33.79 71.9 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.685 1.194 . . . . 0.0 111.222 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 t -42.73 -39.41 2.42 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 156.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -57.16 -41.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 CA-C-N 120.761 1.619 . . . . 0.0 114.532 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.8 -5.28 57.06 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.919 2.192 . . . . 0.0 116.919 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 t -58.37 144.27 42.3 Favored 'General case' 0 CA--C 1.556 1.174 0 O-C-N 120.367 -1.458 . . . . 0.0 112.487 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.74 137.04 55.16 Favored 'General case' 0 CA--C 1.574 1.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.652 162.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . 0.367 1.6 m 94.07 -32.47 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -154.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.72 144.57 54.35 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 120.979 1.718 . . . . 0.0 115.503 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.5 p -79.04 147.56 70.04 Favored Pre-proline 0 CA--C 1.57 1.738 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -165.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -52.58 -35.82 68.74 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 117.821 2.2 . . . . 0.0 117.821 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.43 -48.95 79.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . 0.327 8.7 tt -59.35 -33.47 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 CA-C-N 121.6 2.0 . . . . 0.0 115.703 172.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.98 -48.02 64.15 Favored 'General case' 0 CA--C 1.576 1.947 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.3 t -57.4 -41.64 80.68 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 165.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -55.49 -48.34 74.73 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 165.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.62 -49.31 73.17 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.1 -47.53 65.22 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -49.11 -49.88 39.85 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 164.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -65.98 -23.61 66.62 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . 0.355 50.0 mm -59.84 -42.56 89.49 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 120.643 1.565 . . . . 0.0 113.405 162.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.22 -41.44 34.33 Favored 'General case' 0 CA--C 1.571 1.752 0 O-C-N 120.861 -1.149 . . . . 0.0 113.913 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.444 ' HD2' ' N ' ' A' ' 113' ' ' GLY . 50.8 t0 -75.59 84.9 2.64 Favored 'General case' 0 CA--C 1.563 1.447 0 O-C-N 121.053 -1.03 . . . . 0.0 111.308 176.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -57.06 -61.48 2.42 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . 0.265 4.4 p-10 -72.31 7.09 1.9 Allowed 'General case' 0 CA--C 1.572 1.799 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . 0.28 54.6 m-20 56.07 20.4 4.35 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -76.08 8.7 3.0 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' N ' ' HD2' ' A' ' 108' ' ' ASP . . . 80.7 0.83 88.57 Favored Glycine 0 CA--C 1.554 2.479 0 N-CA-C 120.09 2.796 . . . . 0.0 120.09 -168.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.0 p -136.57 129.51 30.97 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 121.154 2.477 . . . . 0.0 111.818 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mt -78.64 101.14 7.31 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.837 0.855 . . . . 0.0 109.018 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -78.52 157.95 28.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.903 -1.123 . . . . 0.0 112.278 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . 0.323 30.6 ptt180 -51.48 -46.85 63.3 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.2 -50.76 70.32 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 119.846 -1.784 . . . . 0.0 115.223 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.18 -43.85 98.23 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . 0.29 63.7 tp -55.07 -39.4 69.22 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 164.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.0 p -66.08 -48.72 70.05 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 119.712 1.142 . . . . 0.0 114.073 173.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -64.09 -45.1 90.19 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.395 -1.288 . . . . 0.0 113.773 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.3 tp -55.77 -57.33 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.116 1.78 . . . . 0.0 113.888 166.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.292 1.4 p -63.27 -44.52 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.579 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.53 -42.46 61.78 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 164.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.19 -41.57 68.72 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 170.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.7 tt -83.45 -37.52 23.07 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.6 m -77.75 -36.86 50.26 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -79.06 64.44 3.72 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -127.75 -68.99 0.75 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.478 0.711 . . . . 0.0 110.521 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.88 67.28 3.43 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 116.285 1.274 . . . . 0.0 116.285 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . 0.266 3.2 mp0 63.36 67.1 0.67 Allowed 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.86 86.74 4.75 Favored 'General case' 0 CA--C 1.572 1.816 0 O-C-N 121.005 -1.059 . . . . 0.0 111.278 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -68.43 161.52 27.46 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.865 0.866 . . . . 0.0 112.518 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -46.6 -41.05 13.97 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.8 tp -65.79 -47.27 75.69 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 167.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.3 t -57.3 -31.06 65.26 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 117.652 2.464 . . . . 0.0 117.652 167.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.32 15.58 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 161.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.3 t -53.79 -38.93 65.0 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -53.9 -52.12 61.54 Favored 'General case' 0 CA--C 1.572 1.806 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 54.7 mtt -71.36 -38.25 71.59 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.75 -29.81 68.42 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.19 -42.33 26.33 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 162.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.5 tp -69.63 -25.24 63.84 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 18.5 tt -53.51 -52.95 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -55.7 -50.49 70.18 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.563 0.745 . . . . 0.0 112.331 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -64.48 -37.29 87.02 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 116.966 2.21 . . . . 0.0 116.966 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.93 -50.87 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 CA-C-N 120.956 1.707 . . . . 0.0 112.664 166.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -53.69 55.51 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -42.3 -46.49 4.58 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -81.06 -46.79 14.47 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.8 t -74.24 -17.96 60.81 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.95 38.79 0.05 Allowed 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 23.0 mt -37.71 -45.29 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -19.82 65.46 Favored 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 119.876 3.287 . . . . 0.0 119.876 171.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . 0.427 53.8 ttt180 105.17 -27.67 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -63.3 2.37 0.39 Allowed 'General case' 0 N--CA 1.508 2.472 0 N-CA-C 121.538 3.903 . . . . 0.0 121.538 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 63.27 32.3 83.67 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 118.444 2.138 . . . . 0.0 118.444 -173.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 10.5 t -161.85 131.66 4.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -173.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.18 111.7 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.982 -1.074 . . . . 0.0 109.645 -169.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -77.64 168.14 20.44 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 112.609 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.65 -39.13 76.3 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.4 t -55.39 -47.83 75.25 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 167.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.75 -42.68 77.19 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -50.71 -57.55 8.03 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 165.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -64.79 -22.53 67.01 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.73 -41.29 97.45 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 121.579 1.99 . . . . 0.0 115.578 162.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 76.4 t -76.55 -47.8 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 C-N-CA 123.67 0.788 . . . . 0.0 112.86 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 48.7 mm -93.17 -39.8 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -166.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 14.0 m -150.03 60.61 0.98 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 118.85 -2.406 . . . . 0.0 114.259 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -81.78 -50.1 9.63 Favored 'General case' 0 CA--C 1.574 1.867 0 C-N-CA 123.677 0.791 . . . . 0.0 112.489 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 74.8 m -82.69 116.18 62.49 Favored Pre-proline 0 CA--C 1.583 2.212 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.676 140.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.45 68.21 8.21 Favored 'Trans proline' 0 CA--C 1.57 2.301 0 CA-C-N 123.333 2.226 . . . . 0.0 117.695 -165.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -82.57 -59.13 2.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -54.44 -45.51 73.06 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -44.4 -40.51 5.49 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 164.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 51.6 p -66.67 -32.39 73.67 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.5 p -84.72 62.82 7.61 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -140.27 56.21 1.61 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.329 -0.857 . . . . 0.0 111.725 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 142.32 28.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 119.918 -1.739 . . . . 0.0 113.812 -174.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 9.4 tp -97.0 157.47 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 CA-C-O 121.935 0.874 . . . . 0.0 112.953 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -97.67 114.32 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 157.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 N--CA 1.491 1.598 0 C-N-CA 123.305 0.642 . . . . 0.0 109.835 170.5 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -71.57 -34.91 70.36 Favored 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.63 150.31 25.25 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 171.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -105.47 71.75 0.94 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 111.336 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -146.92 -59.4 0.28 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.99 -1.069 . . . . 0.0 113.38 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.13 93.14 6.38 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -162.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.254 26.0 tt0 54.14 62.22 2.69 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 170.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -86.09 91.29 8.37 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 112.293 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -74.1 85.95 1.85 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 122.53 1.157 . . . . 0.0 112.069 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -132.53 75.5 1.63 Allowed 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.686 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.3 89.98 3.17 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.159 -0.963 . . . . 0.0 109.705 166.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 p -140.89 154.57 46.2 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.638 1.209 . . . . 0.0 112.59 -153.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.09 29.22 0.48 Allowed 'General case' 0 CA--C 1.583 2.231 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.0 120.03 36.58 Favored 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.5 p -69.38 168.92 13.38 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.117 0.967 . . . . 0.0 113.082 168.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -47.74 -41.11 22.25 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -74.22 -41.43 61.37 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.13 -43.54 78.32 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.27 -50.48 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.308 1.043 . . . . 0.0 113.066 164.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.98 -47.67 82.29 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.22 -53.5 56.49 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.43 -41.55 66.18 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 167.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -57.42 -42.3 82.07 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.78 -42.29 98.81 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -57.12 13.3 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 165.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -48.05 -40.58 23.44 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 166.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -62.45 -50.9 69.63 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.36 -44.39 75.94 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 120.953 1.706 . . . . 0.0 115.577 166.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.46 -33.02 67.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 166.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.77 -46.66 75.91 Favored Pre-proline 0 CA--C 1.582 2.205 0 N-CA-C 121.526 3.898 . . . . 0.0 121.526 -174.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -106.25 86.94 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.116 0 CA-C-N 123.538 2.299 . . . . 0.0 115.901 -157.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -133.74 -58.63 0.86 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.151 -0.968 . . . . 0.0 111.107 161.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -61.44 -45.69 93.21 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -96.66 89.2 4.87 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 120.691 -1.256 . . . . 0.0 110.816 152.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -68.59 -58.83 3.7 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 116.469 2.025 . . . . 0.0 116.469 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -100.77 -57.72 2.04 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.3 m -81.16 115.98 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.101 -0.999 . . . . 0.0 111.152 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -85.45 83.59 7.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 111.394 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -91.87 -48.55 6.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -171.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.1 p -90.17 90.58 8.16 Favored 'General case' 0 CA--C 1.567 1.629 0 O-C-N 120.941 -1.1 . . . . 0.0 112.624 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.0 -69.88 0.47 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -80.72 65.46 5.87 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.115 1.78 . . . . 0.0 112.733 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.4 -59.9 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 125.548 1.539 . . . . 0.0 109.988 -168.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.97 125.24 33.23 Favored 'General case' 0 CA--C 1.568 1.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.52 163.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -99.05 123.66 48.21 Favored Pre-proline 0 CA--C 1.578 2.019 1 O-C-N 114.671 -5.018 . . . . 0.0 113.461 47.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -93.88 167.85 2.07 Favored 'Trans proline' 0 CA--C 1.563 1.942 0 C-N-CA 122.74 2.293 . . . . 0.0 115.127 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . 0.301 33.3 p90 -53.94 -37.91 64.36 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 117.163 2.283 . . . . 0.0 117.163 169.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.1 -46.13 53.33 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 164.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -74.22 -32.45 63.02 Favored 'General case' 0 CA--C 1.576 1.944 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG23 HD23 ' A' ' 56' ' ' LEU 0.254 12.5 mm -64.98 -52.37 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.172 0.989 . . . . 0.0 112.86 164.217 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 tt -53.85 -18.96 3.76 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 165.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -54.28 -39.29 66.79 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 145.38 29.82 Favored Pre-proline 0 CA--C 1.589 2.474 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . 0.297 26.5 Cg_exo -26.57 -70.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.194 2 N-CA-C 124.898 4.922 . . . . 0.0 124.898 -176.264 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.69 27.72 0.72 Allowed 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 HG23 ' A' ' 50' ' ' ILE . 10.1 mp -111.85 54.04 0.71 Allowed 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.488 -1.383 . . . . 0.0 110.118 171.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -130.17 -74.71 0.54 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.802 0.841 . . . . 0.0 109.871 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.79 55.24 3.1 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 122.769 1.271 . . . . 0.0 112.562 163.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -112.59 92.84 21.05 Favored Pre-proline 0 CA--C 1.566 1.564 0 N-CA-C 103.26 -2.867 . . . . 0.0 103.26 162.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -57.24 -19.83 36.17 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 118.158 2.33 . . . . 0.0 118.158 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -91.52 5.01 51.17 Favored 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.304 17.9 mmtt -64.09 -43.21 96.09 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 123.99 3.086 . . . . 0.0 117.066 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.36 -33.04 75.02 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 166.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.16 -50.69 70.85 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 168.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.37 46.4 mt -51.66 -55.8 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 125.469 1.508 . . . . 0.0 112.695 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.9 t -43.45 -50.81 6.88 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 118.194 2.664 . . . . 0.0 118.194 164.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.96 -40.72 95.44 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.35 -43.73 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 CA-C-N 119.67 1.123 . . . . 0.0 113.022 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.535 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.4 m-30 -50.91 -52.7 39.44 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 172.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -124.35 -69.06 0.82 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.97 1.843 . . . . 0.0 109.948 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.4 m -89.85 -65.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.858 1 O-C-N 109.83 -8.044 . . . . 0.0 112.666 -79.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . 0.615 91.3 p 75.86 -101.94 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.19 0 CA-C-O 114.671 -2.585 . . . . 0.0 114.232 -167.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.44 162.88 35.35 Favored 'Trans proline' 0 CA--C 1.571 2.361 0 CA-C-N 127.593 3.748 . . . . 0.0 115.828 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.05 135.12 50.33 Favored 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.396 14.2 mptt 77.81 -39.35 0.29 Allowed 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.85 91.68 1.99 Allowed 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 120.726 1.603 . . . . 0.0 111.151 164.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -128.39 -120.86 0.24 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.365 -168.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.296 0.4 OUTLIER -84.13 93.52 8.15 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 121.566 1.985 . . . . 0.0 112.273 -159.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.8 p -68.63 164.88 20.49 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.15 -39.24 78.32 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.35 -51.76 68.1 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 169.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -50.82 -51.46 50.81 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.374 160.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.495 ' HA ' HD21 ' A' ' 86' ' ' LEU 0.353 22.3 t80 -43.77 -43.33 6.03 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 171.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.72 -53.89 6.38 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.16 -43.88 21.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 87' ' ' LEU . 3.6 pp -55.1 -60.42 3.41 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 171.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 86' ' ' LEU . 10.5 tt -70.34 -33.79 71.9 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.685 1.194 . . . . 0.0 111.222 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 t -42.73 -39.41 2.42 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 156.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -57.16 -41.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 CA-C-N 120.761 1.619 . . . . 0.0 114.532 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.8 -5.28 57.06 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.919 2.192 . . . . 0.0 116.919 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 t -58.37 144.27 42.3 Favored 'General case' 0 CA--C 1.556 1.174 0 O-C-N 120.367 -1.458 . . . . 0.0 112.487 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.74 137.04 55.16 Favored 'General case' 0 CA--C 1.574 1.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.652 162.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . 0.367 1.6 m 94.07 -32.47 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -154.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.72 144.57 54.35 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 120.979 1.718 . . . . 0.0 115.503 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.5 p -79.04 147.56 70.04 Favored Pre-proline 0 CA--C 1.57 1.738 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -165.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -52.58 -35.82 68.74 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 117.821 2.2 . . . . 0.0 117.821 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.43 -48.95 79.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . 0.327 8.7 tt -59.35 -33.47 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 CA-C-N 121.6 2.0 . . . . 0.0 115.703 172.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.98 -48.02 64.15 Favored 'General case' 0 CA--C 1.576 1.947 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.3 t -57.4 -41.64 80.68 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 165.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -55.49 -48.34 74.73 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 165.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.62 -49.31 73.17 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.1 -47.53 65.22 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -49.11 -49.88 39.85 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 164.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -65.98 -23.61 66.62 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . 0.355 50.0 mm -59.84 -42.56 89.49 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 120.643 1.565 . . . . 0.0 113.405 162.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.22 -41.44 34.33 Favored 'General case' 0 CA--C 1.571 1.752 0 O-C-N 120.861 -1.149 . . . . 0.0 113.913 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -75.59 84.9 2.64 Favored 'General case' 0 CA--C 1.563 1.447 0 O-C-N 121.053 -1.03 . . . . 0.0 111.308 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -57.06 -61.48 2.42 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . 0.265 4.4 p-10 -72.31 7.09 1.9 Allowed 'General case' 0 CA--C 1.572 1.799 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . 0.28 54.6 m-20 56.07 20.4 4.35 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -76.08 8.7 3.0 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.83 88.57 Favored Glycine 0 CA--C 1.554 2.479 0 N-CA-C 120.09 2.796 . . . . 0.0 120.09 -168.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.0 p -136.57 129.51 30.97 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 121.154 2.477 . . . . 0.0 111.818 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mt -78.64 101.14 7.31 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.837 0.855 . . . . 0.0 109.018 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -78.52 157.95 28.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.903 -1.123 . . . . 0.0 112.278 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.52 ' O ' HD11 ' A' ' 145' ' ' ILE 0.323 30.6 ptt180 -51.48 -46.85 63.3 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 176.151 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.2 -50.76 70.32 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 119.846 -1.784 . . . . 0.0 115.223 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.18 -43.85 98.23 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . 0.29 63.7 tp -55.07 -39.4 69.22 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 164.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 145' ' ' ILE . 66.0 p -66.08 -48.72 70.05 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 119.712 1.142 . . . . 0.0 114.073 173.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -64.09 -45.1 90.19 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.395 -1.288 . . . . 0.0 113.773 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.3 tp -55.77 -57.33 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.116 1.78 . . . . 0.0 113.888 166.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.292 1.4 p -63.27 -44.52 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.579 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.53 -42.46 61.78 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 164.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.19 -41.57 68.72 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 170.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.7 tt -83.45 -37.52 23.07 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.6 m -77.75 -36.86 50.26 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -79.06 64.44 3.72 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -127.75 -68.99 0.75 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.478 0.711 . . . . 0.0 110.521 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.88 67.28 3.43 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 116.285 1.274 . . . . 0.0 116.285 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . 0.266 3.2 mp0 63.36 67.1 0.67 Allowed 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.86 86.74 4.75 Favored 'General case' 0 CA--C 1.572 1.816 0 O-C-N 121.005 -1.059 . . . . 0.0 111.278 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -68.43 161.52 27.46 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.865 0.866 . . . . 0.0 112.518 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -46.6 -41.05 13.97 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.8 tp -65.79 -47.27 75.69 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 167.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.3 t -57.3 -31.06 65.26 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 117.652 2.464 . . . . 0.0 117.652 167.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.32 15.58 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 161.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.3 t -53.79 -38.93 65.0 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -53.9 -52.12 61.54 Favored 'General case' 0 CA--C 1.572 1.806 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 54.7 mtt -71.36 -38.25 71.59 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.75 -29.81 68.42 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.19 -42.33 26.33 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 162.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.5 tp -69.63 -25.24 63.84 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.52 HD11 ' O ' ' A' ' 117' ' ' ARG . 18.5 tt -53.51 -52.95 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -55.7 -50.49 70.18 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.563 0.745 . . . . 0.0 112.331 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -64.48 -37.29 87.02 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 116.966 2.21 . . . . 0.0 116.966 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.93 -50.87 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 CA-C-N 120.956 1.707 . . . . 0.0 112.664 166.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -53.69 55.51 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -42.3 -46.49 4.58 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -81.06 -46.79 14.47 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.8 t -74.24 -17.96 60.81 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.95 38.79 0.05 Allowed 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 23.0 mt -37.71 -45.29 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -19.82 65.46 Favored 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 119.876 3.287 . . . . 0.0 119.876 171.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . 0.427 53.8 ttt180 105.17 -27.67 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -63.3 2.37 0.39 Allowed 'General case' 0 N--CA 1.508 2.472 0 N-CA-C 121.538 3.903 . . . . 0.0 121.538 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 63.27 32.3 83.67 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 118.444 2.138 . . . . 0.0 118.444 -173.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 10.5 t -161.85 131.66 4.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -173.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.18 111.7 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.982 -1.074 . . . . 0.0 109.645 -169.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -77.64 168.14 20.44 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 112.609 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.65 -39.13 76.3 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.4 t -55.39 -47.83 75.25 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 167.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.75 -42.68 77.19 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -50.71 -57.55 8.03 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 165.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -64.79 -22.53 67.01 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.73 -41.29 97.45 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 121.579 1.99 . . . . 0.0 115.578 162.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 76.4 t -76.55 -47.8 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 C-N-CA 123.67 0.788 . . . . 0.0 112.86 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 48.7 mm -93.17 -39.8 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -166.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 14.0 m -150.03 60.61 0.98 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 118.85 -2.406 . . . . 0.0 114.259 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -81.78 -50.1 9.63 Favored 'General case' 0 CA--C 1.574 1.867 0 C-N-CA 123.677 0.791 . . . . 0.0 112.489 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 74.8 m -82.69 116.18 62.49 Favored Pre-proline 0 CA--C 1.583 2.212 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.676 140.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.45 68.21 8.21 Favored 'Trans proline' 0 CA--C 1.57 2.301 0 CA-C-N 123.333 2.226 . . . . 0.0 117.695 -165.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -82.57 -59.13 2.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -54.44 -45.51 73.06 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -44.4 -40.51 5.49 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 164.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 51.6 p -66.67 -32.39 73.67 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.5 p -84.72 62.82 7.61 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -140.27 56.21 1.61 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.329 -0.857 . . . . 0.0 111.725 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 142.32 28.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 119.918 -1.739 . . . . 0.0 113.812 -174.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 9.4 tp -97.0 157.47 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 CA-C-O 121.935 0.874 . . . . 0.0 112.953 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -97.67 114.32 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 157.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 N--CA 1.491 1.598 0 C-N-CA 123.305 0.642 . . . . 0.0 109.835 170.5 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -71.57 -34.91 70.36 Favored 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.63 150.31 25.25 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 171.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -105.47 71.75 0.94 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 111.336 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -146.92 -59.4 0.28 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.99 -1.069 . . . . 0.0 113.38 -173.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.13 93.14 6.38 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -162.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.254 26.0 tt0 54.14 62.22 2.69 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 170.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -86.09 91.29 8.37 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 112.293 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -74.1 85.95 1.85 Allowed 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 122.53 1.157 . . . . 0.0 112.069 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -132.53 75.5 1.63 Allowed 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.686 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.3 89.98 3.17 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.159 -0.963 . . . . 0.0 109.705 166.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 p -140.89 154.57 46.2 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 122.638 1.209 . . . . 0.0 112.59 -153.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -83.09 29.22 0.48 Allowed 'General case' 0 CA--C 1.583 2.231 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.0 120.03 36.58 Favored 'General case' 0 CA--C 1.567 1.631 0 O-C-N 120.714 -1.241 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.5 p -69.38 168.92 13.38 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.117 0.967 . . . . 0.0 113.082 168.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -47.74 -41.11 22.25 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -74.22 -41.43 61.37 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 172.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.13 -43.54 78.32 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.27 -50.48 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.308 1.043 . . . . 0.0 113.066 164.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.98 -47.67 82.29 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 173.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.22 -53.5 56.49 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.43 -41.55 66.18 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 167.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -57.42 -42.3 82.07 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.78 -42.29 98.81 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -57.12 13.3 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 165.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -48.05 -40.58 23.44 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 166.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.9 m -62.45 -50.9 69.63 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 171.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.36 -44.39 75.94 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 120.953 1.706 . . . . 0.0 115.577 166.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.46 -33.02 67.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 166.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mt -64.77 -46.66 75.91 Favored Pre-proline 0 CA--C 1.582 2.205 0 N-CA-C 121.526 3.898 . . . . 0.0 121.526 -174.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -106.25 86.94 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.116 0 CA-C-N 123.538 2.299 . . . . 0.0 115.901 -157.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -133.74 -58.63 0.86 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.151 -0.968 . . . . 0.0 111.107 161.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -61.44 -45.69 93.21 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -96.66 89.2 4.87 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 120.691 -1.256 . . . . 0.0 110.816 152.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -68.59 -58.83 3.7 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 116.469 2.025 . . . . 0.0 116.469 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -100.77 -57.72 2.04 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.3 m -81.16 115.98 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.101 -0.999 . . . . 0.0 111.152 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -85.45 83.59 7.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 111.394 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -91.87 -48.55 6.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -171.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.1 p -90.17 90.58 8.16 Favored 'General case' 0 CA--C 1.567 1.629 0 O-C-N 120.941 -1.1 . . . . 0.0 112.624 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -76.0 -69.88 0.47 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -80.72 65.46 5.87 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.115 1.78 . . . . 0.0 112.733 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -169.4 -59.9 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 125.548 1.539 . . . . 0.0 109.988 -168.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -85.97 125.24 33.23 Favored 'General case' 0 CA--C 1.568 1.663 0 O-C-N 121.342 -0.849 . . . . 0.0 109.52 163.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -99.05 123.66 48.21 Favored Pre-proline 0 CA--C 1.578 2.019 1 O-C-N 114.671 -5.018 . . . . 0.0 113.461 47.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -93.88 167.85 2.07 Favored 'Trans proline' 0 CA--C 1.563 1.942 0 C-N-CA 122.74 2.293 . . . . 0.0 115.127 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . 0.301 33.3 p90 -53.94 -37.91 64.36 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 117.163 2.283 . . . . 0.0 117.163 169.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.1 -46.13 53.33 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 164.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -74.22 -32.45 63.02 Favored 'General case' 0 CA--C 1.576 1.944 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG23 HD23 ' A' ' 56' ' ' LEU 0.254 12.5 mm -64.98 -52.37 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.172 0.989 . . . . 0.0 112.86 164.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 tt -53.85 -18.96 3.76 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 165.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 t -54.28 -39.29 66.79 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 117.979 2.585 . . . . 0.0 117.979 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 145.38 29.82 Favored Pre-proline 0 CA--C 1.589 2.474 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -172.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . 0.297 26.5 Cg_exo -26.57 -70.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.194 2 N-CA-C 124.898 4.922 . . . . 0.0 124.898 -176.264 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.69 27.72 0.72 Allowed 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 HG23 ' A' ' 50' ' ' ILE . 10.1 mp -111.85 54.04 0.71 Allowed 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.488 -1.383 . . . . 0.0 110.118 171.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -130.17 -74.71 0.54 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 123.802 0.841 . . . . 0.0 109.871 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.79 55.24 3.1 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 122.769 1.271 . . . . 0.0 112.562 163.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -112.59 92.84 21.05 Favored Pre-proline 0 CA--C 1.566 1.564 0 N-CA-C 103.26 -2.867 . . . . 0.0 103.26 162.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -57.24 -19.83 36.17 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 118.158 2.33 . . . . 0.0 118.158 -175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -91.52 5.01 51.17 Favored 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.304 17.9 mmtt -64.09 -43.21 96.09 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 123.99 3.086 . . . . 0.0 117.066 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.36 -33.04 75.02 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 166.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.16 -50.69 70.85 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 168.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.37 46.4 mt -51.66 -55.8 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 125.469 1.508 . . . . 0.0 112.695 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.9 t -43.45 -50.81 6.88 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 118.194 2.664 . . . . 0.0 118.194 164.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -64.96 -40.72 95.44 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.35 -43.73 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 CA-C-N 119.67 1.123 . . . . 0.0 113.022 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.535 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.4 m-30 -50.91 -52.7 39.44 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 116.718 2.118 . . . . 0.0 116.718 172.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 t -124.35 -69.06 0.82 Allowed 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 123.97 1.843 . . . . 0.0 109.948 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.4 m -89.85 -65.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.858 1 O-C-N 109.83 -8.044 . . . . 0.0 112.666 -79.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . 0.615 91.3 p 75.86 -101.94 0.0 OUTLIER Pre-proline 0 CA--C 1.582 2.19 0 CA-C-O 114.671 -2.585 . . . . 0.0 114.232 -167.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.44 162.88 35.35 Favored 'Trans proline' 0 CA--C 1.571 2.361 0 CA-C-N 127.593 3.748 . . . . 0.0 115.828 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.05 135.12 50.33 Favored 'General case' 0 CA--C 1.57 1.738 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.396 14.2 mptt 77.81 -39.35 0.29 Allowed 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.85 91.68 1.99 Allowed 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 120.726 1.603 . . . . 0.0 111.151 164.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -128.39 -120.86 0.24 Allowed 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.365 -168.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.296 0.4 OUTLIER -84.13 93.52 8.15 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 121.566 1.985 . . . . 0.0 112.273 -159.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.8 p -68.63 164.88 20.49 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.15 -39.24 78.32 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.35 -51.76 68.1 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 169.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -50.82 -51.46 50.81 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.374 160.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.495 ' HA ' HD21 ' A' ' 86' ' ' LEU 0.353 22.3 t80 -43.77 -43.33 6.03 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 171.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.72 -53.89 6.38 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.16 -43.88 21.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 87' ' ' LEU . 3.6 pp -55.1 -60.42 3.41 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 171.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 86' ' ' LEU . 10.5 tt -70.34 -33.79 71.9 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.685 1.194 . . . . 0.0 111.222 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 t -42.73 -39.41 2.42 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 156.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -57.16 -41.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 CA-C-N 120.761 1.619 . . . . 0.0 114.532 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.8 -5.28 57.06 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 116.919 2.192 . . . . 0.0 116.919 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.7 t -58.37 144.27 42.3 Favored 'General case' 0 CA--C 1.556 1.174 0 O-C-N 120.367 -1.458 . . . . 0.0 112.487 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.74 137.04 55.16 Favored 'General case' 0 CA--C 1.574 1.889 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.652 162.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . 0.367 1.6 m 94.07 -32.47 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -154.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.72 144.57 54.35 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 120.979 1.718 . . . . 0.0 115.503 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.5 p -79.04 147.56 70.04 Favored Pre-proline 0 CA--C 1.57 1.738 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -165.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -52.58 -35.82 68.74 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 117.821 2.2 . . . . 0.0 117.821 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.43 -48.95 79.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . 0.327 8.7 tt -59.35 -33.47 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 CA-C-N 121.6 2.0 . . . . 0.0 115.703 172.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -68.98 -48.02 64.15 Favored 'General case' 0 CA--C 1.576 1.947 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.3 t -57.4 -41.64 80.68 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 165.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -55.49 -48.34 74.73 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 165.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.62 -49.31 73.17 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 166.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.1 -47.53 65.22 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -49.11 -49.88 39.85 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 164.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -65.98 -23.61 66.62 Favored 'General case' 0 CA--C 1.566 1.596 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . 0.355 50.0 mm -59.84 -42.56 89.49 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 120.643 1.565 . . . . 0.0 113.405 162.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -78.22 -41.44 34.33 Favored 'General case' 0 CA--C 1.571 1.752 0 O-C-N 120.861 -1.149 . . . . 0.0 113.913 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -75.59 84.9 2.64 Favored 'General case' 0 CA--C 1.563 1.447 0 O-C-N 121.053 -1.03 . . . . 0.0 111.308 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -57.06 -61.48 2.42 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . 0.265 4.4 p-10 -72.31 7.09 1.9 Allowed 'General case' 0 CA--C 1.572 1.799 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . 0.28 54.6 m-20 56.07 20.4 4.35 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -76.08 8.7 3.0 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.83 88.57 Favored Glycine 0 CA--C 1.554 2.479 0 N-CA-C 120.09 2.796 . . . . 0.0 120.09 -168.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.0 p -136.57 129.51 30.97 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 121.154 2.477 . . . . 0.0 111.818 -176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 mt -78.64 101.14 7.31 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.837 0.855 . . . . 0.0 109.018 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -78.52 157.95 28.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.903 -1.123 . . . . 0.0 112.278 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.52 ' O ' HD11 ' A' ' 145' ' ' ILE 0.323 30.6 ptt180 -51.48 -46.85 63.3 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.783 1.771 . . . . 0.0 115.783 176.151 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.2 -50.76 70.32 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 119.846 -1.784 . . . . 0.0 115.223 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.18 -43.85 98.23 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . 0.29 63.7 tp -55.07 -39.4 69.22 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 164.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 145' ' ' ILE . 66.0 p -66.08 -48.72 70.05 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 119.712 1.142 . . . . 0.0 114.073 173.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -64.09 -45.1 90.19 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.395 -1.288 . . . . 0.0 113.773 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.3 tp -55.77 -57.33 12.48 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 121.116 1.78 . . . . 0.0 113.888 166.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . 0.292 1.4 p -63.27 -44.52 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.579 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -175.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.53 -42.46 61.78 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 164.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.19 -41.57 68.72 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 116.631 2.086 . . . . 0.0 116.631 170.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.7 tt -83.45 -37.52 23.07 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.6 m -77.75 -36.86 50.26 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -79.06 64.44 3.72 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 173.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -127.75 -68.99 0.75 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.478 0.711 . . . . 0.0 110.521 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -86.88 67.28 3.43 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 116.285 1.274 . . . . 0.0 116.285 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . 0.266 3.2 mp0 63.36 67.1 0.67 Allowed 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.86 86.74 4.75 Favored 'General case' 0 CA--C 1.572 1.816 0 O-C-N 121.005 -1.059 . . . . 0.0 111.278 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -68.43 161.52 27.46 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 123.865 0.866 . . . . 0.0 112.518 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -46.6 -41.05 13.97 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 36.8 tp -65.79 -47.27 75.69 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 167.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.3 t -57.3 -31.06 65.26 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 117.652 2.464 . . . . 0.0 117.652 167.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.32 15.58 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 161.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.3 t -53.79 -38.93 65.0 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -53.9 -52.12 61.54 Favored 'General case' 0 CA--C 1.572 1.806 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 54.7 mtt -71.36 -38.25 71.59 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 169.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.75 -29.81 68.42 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 169.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -79.19 -42.33 26.33 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 162.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.5 tp -69.63 -25.24 63.84 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.52 HD11 ' O ' ' A' ' 117' ' ' ARG . 18.5 tt -53.51 -52.95 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -55.7 -50.49 70.18 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 123.563 0.745 . . . . 0.0 112.331 173.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -64.48 -37.29 87.02 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 116.966 2.21 . . . . 0.0 116.966 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.93 -50.87 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 CA-C-N 120.956 1.707 . . . . 0.0 112.664 166.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -53.69 55.51 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 172.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -42.3 -46.49 4.58 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -81.06 -46.79 14.47 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.8 t -74.24 -17.96 60.81 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.95 38.79 0.05 Allowed 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 23.0 mt -37.71 -45.29 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -19.82 65.46 Favored 'General case' 0 CA--C 1.577 1.994 0 N-CA-C 119.876 3.287 . . . . 0.0 119.876 171.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . 0.427 53.8 ttt180 105.17 -27.67 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 172.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -63.3 2.37 0.39 Allowed 'General case' 0 N--CA 1.508 2.472 0 N-CA-C 121.538 3.903 . . . . 0.0 121.538 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 63.27 32.3 83.67 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 118.444 2.138 . . . . 0.0 118.444 -173.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 10.5 t -161.85 131.66 4.71 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -173.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.18 111.7 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.982 -1.074 . . . . 0.0 109.645 -169.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -77.64 168.14 20.44 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 112.609 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.65 -39.13 76.3 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.4 t -55.39 -47.83 75.25 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 167.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.75 -42.68 77.19 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -50.71 -57.55 8.03 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 165.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -64.79 -22.53 67.01 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.73 -41.29 97.45 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 121.579 1.99 . . . . 0.0 115.578 162.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 76.4 t -76.55 -47.8 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 C-N-CA 123.67 0.788 . . . . 0.0 112.86 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 48.7 mm -93.17 -39.8 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.749 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -166.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 14.0 m -150.03 60.61 0.98 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 118.85 -2.406 . . . . 0.0 114.259 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -81.78 -50.1 9.63 Favored 'General case' 0 CA--C 1.574 1.867 0 C-N-CA 123.677 0.791 . . . . 0.0 112.489 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 74.8 m -82.69 116.18 62.49 Favored Pre-proline 0 CA--C 1.583 2.212 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.676 140.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.45 68.21 8.21 Favored 'Trans proline' 0 CA--C 1.57 2.301 0 CA-C-N 123.333 2.226 . . . . 0.0 117.695 -165.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -82.57 -59.13 2.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -54.44 -45.51 73.06 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -44.4 -40.51 5.49 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 119.013 2.968 . . . . 0.0 119.013 164.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 51.6 p -66.67 -32.39 73.67 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 118.035 2.605 . . . . 0.0 118.035 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.5 p -84.72 62.82 7.61 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -140.27 56.21 1.61 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.329 -0.857 . . . . 0.0 111.725 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 142.32 28.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 119.918 -1.739 . . . . 0.0 113.812 -174.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 9.4 tp -97.0 157.47 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 CA-C-O 121.935 0.874 . . . . 0.0 112.953 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -97.67 114.32 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 157.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 N--CA 1.491 1.598 0 C-N-CA 123.305 0.642 . . . . 0.0 109.835 170.5 . . . . . . . . 0 0 . 1 stop_ save_