data_1f3r_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 1f3r _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 ' 67' ' ' TRP . . . . . . . . . . . . . 7.3 m0 . . . . . 0 CA--C 1.572 1.825 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -132.53 145.5 57.49 Favored Pre-proline 0 CA--C 1.58 2.134 0 CA-C-N 120.929 1.695 . . . . 0.0 112.73 -164.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.07 100.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.571 2.372 0 C-N-CA 123.456 2.77 . . . . 0.0 115.653 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.49 -70.19 0.36 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 120.984 -1.072 . . . . 0.0 113.283 -154.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.291 3.7 p30 -65.75 -43.47 88.83 Favored 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 151.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.83 92.59 0.91 Allowed 'General case' 0 CA--C 1.571 1.759 0 O-C-N 121.279 -0.888 . . . . 0.0 109.842 162.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.82 -65.12 0.92 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -148.57 68.24 0.36 Allowed Glycine 0 N--CA 1.491 2.363 0 CA-C-O 118.839 -0.979 . . . . 0.0 113.315 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.21 -43.21 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.323 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.567 1.621 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.5 t -121.37 105.71 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 172.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -119.41 110.54 17.06 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.324 -0.86 . . . . 0.0 111.433 -170.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.99 98.66 11.9 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.228 -0.92 . . . . 0.0 111.966 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.13 90.5 5.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.932 . . . . 0.0 110.851 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . 0.251 0.0 OUTLIER -77.61 117.92 19.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.907 -1.12 . . . . 0.0 113.03 173.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 47.2 m -98.26 132.92 43.36 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-O 121.482 0.658 . . . . 0.0 112.142 -168.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.14 148.81 20.33 Favored Glycine 0 CA--C 1.56 2.871 0 CA-C-O 118.417 -1.213 . . . . 0.0 114.254 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.06 0.01 10.34 Favored 'Trans proline' 0 CA--C 1.57 2.311 0 N-CA-C 120.318 3.161 . . . . 0.0 120.318 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.3 -60.18 4.86 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.902 1.683 . . . . 0.0 116.055 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.4 tp -125.04 132.84 53.14 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 124.196 0.998 . . . . 0.0 110.343 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -135.96 144.97 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.065 -1.022 . . . . 0.0 110.864 173.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -79.61 129.63 70.71 Favored Pre-proline 0 CA--C 1.583 2.24 0 O-C-N 120.935 -1.103 . . . . 0.0 113.663 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -50.15 159.25 1.93 Allowed 'Trans proline' 0 CA--C 1.571 2.339 0 C-N-CA 123.3 2.667 . . . . 0.0 118.683 166.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . 0.373 9.9 m 84.33 -40.32 0.07 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -170.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.18 -136.17 0.05 Allowed 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 121.018 1.735 . . . . 0.0 113.549 -171.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 99.6 m -140.74 133.78 29.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.219 -1.551 . . . . 0.0 110.926 -171.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.33 111.78 22.89 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.292 -0.88 . . . . 0.0 111.475 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t -91.3 85.73 5.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.904 -1.122 . . . . 0.0 113.722 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.08 112.13 6.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.289 -0.882 . . . . 0.0 112.162 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -109.1 106.32 16.18 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.53 -0.731 . . . . 0.0 111.085 -166.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' B' ' 95' ' ' CYS . 51.9 t -83.68 94.04 8.04 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 173.218 179.927 115.382 49.279 101.928 2.954 101.359 152.878 75.59 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 56.4 m -82.73 108.07 15.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.636 0.774 . . . . 0.0 109.55 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.83 106.19 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.302 -0.874 . . . . 0.0 111.039 -170.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -83.13 88.94 6.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.457 -1.402 . . . . 0.0 111.071 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.79 -66.87 0.25 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 116.311 1.285 . . . . 0.0 116.311 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -109.2 150.22 28.22 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -78.49 133.66 37.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 121.142 -0.974 . . . . 0.0 112.746 168.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -56.74 -37.52 71.12 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 119.514 3.153 . . . . 0.0 119.514 -163.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 72.4 p -60.72 -25.58 66.55 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.4 p -68.15 -75.65 0.1 Allowed 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -103.9 79.76 1.68 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.285 1.402 . . . . 0.0 111.484 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 90.3 p -43.32 128.8 4.88 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 119.433 3.123 . . . . 0.0 119.433 -171.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 123.73 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 122.435 1.112 . . . . 0.0 111.563 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -103.86 133.68 48.42 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.219 1.007 . . . . 0.0 112.449 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -108.96 127.07 53.74 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 121.13 -0.981 . . . . 0.0 111.364 -170.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -134.47 120.79 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -94.56 132.38 39.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.698 -1.251 . . . . 0.0 112.527 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -116.1 97.92 50.32 Favored Pre-proline 0 CA--C 1.576 1.965 0 O-C-N 121.243 -0.91 . . . . 0.0 108.828 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -73.2 164.12 36.21 Favored 'Trans proline' 0 CA--C 1.563 1.929 0 C-N-CA 122.414 2.076 . . . . 0.0 117.252 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -68.89 90.44 0.43 Allowed 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.19 33.38 14.68 Favored Glycine 0 CA--C 1.551 2.321 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -169.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -131.69 -70.72 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 119.394 1.597 . . . . 0.0 112.74 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.38 175.44 14.97 Favored Glycine 0 CA--C 1.558 2.726 0 N-CA-C 116.651 1.42 . . . . 0.0 116.651 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.41 113.68 3.39 Favored 'Trans proline' 0 CA--C 1.568 2.193 0 CA-C-N 121.056 2.428 . . . . 0.0 115.458 -171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -101.19 125.92 47.86 Favored 'General case' 0 CA--C 1.564 1.498 0 O-C-N 121.171 -0.956 . . . . 0.0 109.917 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -70.3 118.19 12.81 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 120.953 -1.092 . . . . 0.0 110.654 165.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.7 mtm -85.18 -49.81 7.92 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.11 171.79 44.26 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -138.09 122.15 17.92 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 119.481 -2.188 . . . . 0.0 111.591 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ttt -83.15 110.97 18.49 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.634 -0.666 . . . . 0.0 110.509 163.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -82.43 -173.59 4.68 Favored 'General case' 0 CA--C 1.579 2.078 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -168.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -56.87 -55.52 33.44 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -165.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -70.63 -54.62 11.27 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.59 72.51 0.01 OUTLIER Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.751 -0.593 . . . . 0.0 113.624 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -134.84 118.22 16.75 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.456 0.628 . . . . 0.0 109.396 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -85.35 95.06 9.11 Favored 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 123.57 0.748 . . . . 0.0 111.837 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.79 138.26 31.58 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -135.92 161.64 35.07 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -163.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -66.38 137.06 56.61 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 169.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.0 m -58.46 -36.65 74.02 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.2 14.86 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 166.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.54 75.78 5.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.818 -1.176 . . . . 0.0 111.93 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -105.38 -79.1 0.56 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.676 -0.64 . . . . 0.0 111.488 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -72.75 -9.15 58.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 118.818 2.896 . . . . 0.0 118.818 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -62.88 -36.13 82.32 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 160.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.09 121.25 38.76 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.15 -0.969 . . . . 0.0 112.568 -164.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -123.68 104.52 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 110.963 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt -88.25 104.55 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.767 -1.208 . . . . 0.0 109.742 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 91.5 p -89.12 158.82 17.8 Favored 'General case' 0 CA--C 1.57 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 111.803 152.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -145.84 131.37 18.77 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 119.892 -1.755 . . . . 0.0 112.999 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -98.92 97.26 8.46 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 45.5 m -67.26 -28.97 68.47 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.3 m -68.59 -43.64 76.05 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.4 -1.46 41.45 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 171.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.13 38.26 8.43 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -123.8 118.62 27.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.291 -1.506 . . . . 0.0 113.046 -170.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.95 119.84 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 O-C-N 121.25 -0.906 . . . . 0.0 108.937 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -106.63 96.95 6.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.732 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.9 tp -81.62 100.23 9.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.41 101.23 13.69 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 121.668 0.747 . . . . 0.0 111.318 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 79.4 mtp -92.58 99.06 11.84 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.004 0.922 . . . . 0.0 110.719 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -89.5 147.99 23.67 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . 0.261 48.8 m 68.26 67.24 0.33 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.25 125.4 28.35 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -166.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -99.3 145.94 26.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.931 -1.106 . . . . 0.0 113.655 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 67.4 p -54.78 -31.82 59.31 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 119.28 3.067 . . . . 0.0 119.28 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -78.53 -0.63 30.35 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -83.39 36.2 0.52 Allowed 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 121.635 2.016 . . . . 0.0 116.25 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 53.6 m -79.36 116.94 19.9 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 119.853 -1.779 . . . . 0.0 110.303 170.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.87 168.16 40.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 118.251 2.061 . . . . 0.0 118.251 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.3 t -89.04 112.96 24.01 Favored 'General case' 0 CA--C 1.569 1.677 0 CA-C-O 122.074 0.94 . . . . 0.0 110.503 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -99.97 118.28 36.05 Favored 'General case' 0 CA--C 1.564 1.487 0 O-C-N 121.535 -0.728 . . . . 0.0 110.635 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -104.16 145.23 30.5 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 124.089 0.956 . . . . 0.0 113.172 -173.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' B' ' 22' ' ' CYS . 14.2 p -119.57 128.51 53.97 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.443 0.697 . . . . 0.0 110.762 165.428 75.59 152.878 49.279 101.359 2.954 101.928 115.382 179.927 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.4 m -122.87 122.71 39.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 111.68 -165.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -73.61 145.51 45.33 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.83 152.69 43.46 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.63 -38.14 48.61 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 163.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -87.33 131.2 34.34 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 121.053 -1.03 . . . . 0.0 112.18 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -105.36 92.03 0.8 Allowed Glycine 0 N--CA 1.49 2.252 0 O-C-N 121.963 -0.461 . . . . 0.0 113.839 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.58 -46.31 3.46 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -80.64 116.79 64.43 Favored Pre-proline 0 CA--C 1.584 2.263 0 C-N-CA 124.782 1.233 . . . . 0.0 114.203 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -78.01 -25.07 7.77 Favored 'Trans proline' 0 CA--C 1.572 2.384 0 N-CA-C 121.275 3.529 . . . . 0.0 121.275 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.07 111.63 2.27 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -157.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.05 65.42 2.11 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.94 -1.1 . . . . 0.0 115.134 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -67.7 111.92 4.51 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -153.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -67.41 -25.22 65.83 Favored 'General case' 0 CA--C 1.586 2.342 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . 0.576 35.5 m-85 88.7 -110.7 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 116.946 -1.502 . . . . 0.0 114.879 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -133.57 135.79 44.52 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 121.542 1.974 . . . . 0.0 114.293 -156.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -115.73 -76.36 0.57 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -87.28 96.02 10.19 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.778 1.172 . . . . 0.0 111.796 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -72.9 124.72 25.99 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.837 0.855 . . . . 0.0 110.773 163.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.52 172.8 17.78 Favored Glycine 0 CA--C 1.564 3.12 0 N-CA-C 116.499 1.359 . . . . 0.0 116.499 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.18 -7.96 21.46 Favored 'Trans proline' 0 CA--C 1.57 2.287 0 N-CA-C 120.711 3.312 . . . . 0.0 120.711 -170.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 81.84 96.62 0.46 Allowed Glycine 0 N--CA 1.49 2.273 0 CA-C-N 120.244 1.383 . . . . 0.0 114.268 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.8 t -79.19 112.95 16.91 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 118.196 0.998 . . . . 0.0 112.096 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 11.0 tpt -77.5 97.46 5.01 Favored 'General case' 0 CA--C 1.568 1.65 0 O-C-N 121.652 -0.655 . . . . 0.0 112.145 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.72 116.24 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' THR . . . . . . . . . . . . . 87.7 m -83.67 97.72 9.25 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.64 0.776 . . . . 0.0 110.445 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 t -85.93 66.82 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 CA-C-O 121.943 0.877 . . . . 0.0 109.651 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -166.49 109.04 0.73 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.192 -1.568 . . . . 0.0 109.461 -167.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -82.01 71.6 9.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.862 -1.149 . . . . 0.0 113.829 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.7 72.66 1.12 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . 174.9 -82.67 0.07 OUTLIER Glycine 0 N--CA 1.491 2.344 0 CA-C-N 117.77 0.785 . . . . 0.0 114.862 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.29 -82.04 1.47 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 116.731 1.452 . . . . 0.0 116.731 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -165.16 -76.69 0.03 OUTLIER Glycine 0 N--CA 1.493 2.472 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 88.2 p -139.51 138.96 36.79 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 117.795 0.798 . . . . 0.0 112.236 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -169.13 -167.93 30.42 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 164.65 -105.86 0.26 Allowed Glycine 0 N--CA 1.491 2.323 0 O-C-N 121.65 -0.911 . . . . 0.0 113.801 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -167.58 83.06 0.1 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 117.606 0.703 . . . . 0.0 113.172 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.4 -75.21 2.39 Favored Glycine 0 N--CA 1.495 2.619 0 CA-C-N 117.553 0.676 . . . . 0.0 114.209 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 79.4 p -86.64 83.83 7.52 Favored 'General case' 0 CA--C 1.57 1.743 0 O-C-N 121.96 -0.729 . . . . 0.0 112.152 166.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.04 96.4 0.11 Allowed Glycine 0 N--CA 1.489 2.179 0 N-CA-C 114.368 0.507 . . . . 0.0 114.368 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 159.03 113.16 0.34 Allowed Glycine 0 N--CA 1.491 2.345 0 CA-C-N 117.494 0.647 . . . . 0.0 113.02 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 164.47 113.61 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 CA-C-N 118.606 1.203 . . . . 0.0 115.598 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -174.55 135.18 3.03 Favored Glycine 0 N--CA 1.492 2.423 0 CA-C-N 117.533 0.667 . . . . 0.0 112.749 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 89.5 p -167.16 96.16 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.686 1.243 . . . . 0.0 111.48 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -136.32 106.83 6.49 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.934 -1.104 . . . . 0.0 111.26 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ILE . . . . . . . . . . . . . 18.9 tt -135.57 153.1 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 C-N-CA 124.55 1.14 . . . . 0.0 111.239 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -85.07 -47.05 10.58 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 114.18 3.76 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 120.66 1.573 . . . . 0.0 114.088 -168.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 23.7 p -68.43 98.75 0.88 Allowed 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 115.186 1.551 . . . . 0.0 115.186 -166.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -107.72 118.79 37.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.792 0.837 . . . . 0.0 110.231 171.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 63.6 m -122.84 116.26 29.07 Favored Pre-proline 0 CA--C 1.574 1.903 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.892 -165.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -89.61 123.9 5.9 Favored 'Cis proline' 0 CA--C 1.569 2.23 0 CA-C-N 124.171 2.525 . . . . 0.0 114.807 -0.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' SER . . . . . . . . . . . . . 8.2 t -68.12 -53.89 22.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.538 -1.351 . . . . 0.0 114.072 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 94.4 mt -83.04 114.68 21.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.196 -0.94 . . . . 0.0 110.862 166.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.57 169.73 16.85 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' SER . . . . . . . . . . . . . 93.0 p -134.12 70.78 1.45 Allowed 'General case' 0 CA--C 1.573 1.841 0 O-C-N 120.734 -1.229 . . . . 0.0 112.58 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -106.45 132.57 52.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.104 -0.997 . . . . 0.0 113.104 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 66.7 m -94.13 172.25 8.34 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.26 122.6 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.89 -1.132 . . . . 0.0 111.862 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 100.44 -27.34 20.88 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 118.822 2.289 . . . . 0.0 118.822 -165.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -80.53 124.47 28.98 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 119.801 1.801 . . . . 0.0 113.796 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -74.42 126.07 29.92 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.42 133.2 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.532 -0.73 . . . . 0.0 111.58 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.1 m -109.13 121.55 45.39 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 112.157 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 81.1 mt -92.49 107.32 19.12 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.83 0.852 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.2 m -90.48 102.11 14.84 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 111.629 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' B' ' 226' ' ' CYS . 50.3 t -82.71 100.19 10.09 Favored 'General case' 0 CA--C 1.562 1.441 0 O-C-N 121.394 -0.816 . . . . 0.0 112.541 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -87.29 116.49 25.42 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 167.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -75.07 138.56 23.73 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 89.1 p -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 117.171 2.285 . . . . 0.0 117.171 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.6 157.42 30.82 Favored 'General case' 0 CA--C 1.577 2.014 0 O-C-N 121.367 -0.833 . . . . 0.0 111.175 159.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.23 135.07 56.87 Favored 'General case' 0 CA--C 1.578 2.054 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -172.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' ILE . . . . . . . . . . . . . 31.5 mt -105.23 -19.09 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -170.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' ASN . . . . . . . . . . . . 0.335 88.3 m-20 74.3 -81.1 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.91 1.686 . . . . 0.0 114.068 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -146.97 14.23 1.16 Allowed 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 168.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -109.45 79.97 1.27 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.939 -1.726 . . . . 0.0 111.652 -153.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.67 122.44 15.36 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 122.972 0.509 . . . . 0.0 109.913 -170.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' ALA . . . . . . . . . . . . . . . -101.3 124.38 46.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.917 . . . . 0.0 112.12 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -86.2 117.0 24.75 Favored 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 123.484 0.714 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -110.26 112.74 24.9 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 111.923 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -84.96 103.36 13.94 Favored 'General case' 0 CA--C 1.568 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 112.651 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -92.27 108.71 20.15 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.997 -1.064 . . . . 0.0 110.897 168.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . 0.469 ' NZ ' ' HE2' ' B' ' 180' ' ' GLU . 41.6 mttp -78.5 165.43 23.76 Favored 'General case' 0 CA--C 1.575 1.905 0 O-C-N 121.0 -1.063 . . . . 0.0 112.317 169.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . 0.272 0.0 OUTLIER -63.81 118.39 8.28 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 120.227 -1.545 . . . . 0.0 113.672 176.263 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.35 66.83 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 119.817 2.687 . . . . 0.0 119.817 -165.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . 0.469 ' HE2' ' NZ ' ' B' ' 177' ' ' LYS . 36.4 tt0 -130.6 156.55 44.68 Favored 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.851 1.825 . . . . 0.0 112.479 -174.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -77.49 145.33 71.58 Favored Pre-proline 0 CA--C 1.585 2.303 0 O-C-N 120.43 -1.419 . . . . 0.0 113.697 163.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.68 112.67 1.08 Allowed 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.86 2.373 . . . . 0.0 117.903 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -88.54 130.01 35.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.825 -1.172 . . . . 0.0 112.603 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.17 113.7 4.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.666 -1.271 . . . . 0.0 112.759 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 8.9 tp -97.11 -59.39 1.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.025 0.93 . . . . 0.0 112.192 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.58 123.64 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -96.17 161.47 13.94 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 50.21 43.61 26.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' THR . . . . . . . . . . . . 0.334 24.0 m 65.26 -74.69 0.05 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -164.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -123.23 75.14 1.28 Allowed 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.75 1.262 . . . . 0.0 111.931 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' SER . . . . . . . . . . . . . 72.9 m -149.76 108.51 3.85 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.3 145.08 37.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.623 -1.298 . . . . 0.0 113.052 -170.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.4 131.22 45.59 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 121.207 -0.933 . . . . 0.0 112.337 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' THR . . . . . . . . . . . . . 75.2 p -56.0 105.34 0.18 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' GLY . . . . . . . . . . . . . . . 138.44 -50.87 0.79 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 115.743 1.057 . . . . 0.0 115.743 -161.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' ILE . . . . . . . . . . . . . 15.7 tt -88.1 123.5 68.6 Favored Pre-proline 0 CA--C 1.585 2.308 0 CA-C-N 118.586 1.193 . . . . 0.0 113.488 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -59.11 168.48 4.6 Favored 'Trans proline' 0 CA--C 1.57 2.286 0 N-CA-C 118.515 2.467 . . . . 0.0 118.515 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' SER . . . . . . . . . . . . . 82.7 p -71.27 82.41 0.75 Allowed 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -136.61 -47.66 0.62 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -171.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.11 101.01 13.72 Favored 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.973 -1.08 . . . . 0.0 110.054 170.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 56.1 p -98.1 99.53 10.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.861 -1.15 . . . . 0.0 112.809 -173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -81.81 106.2 2.62 Favored Glycine 0 N--CA 1.492 2.43 0 CA-C-O 119.368 -0.685 . . . . 0.0 114.518 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 58.7 m -129.55 121.15 26.57 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.349 1.074 . . . . 0.0 112.953 -167.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . 167.49 174.63 36.71 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 116.046 1.179 . . . . 0.0 116.046 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' SER . . . . . . . . . . . . . 93.2 p -148.84 147.43 28.73 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.392 1.092 . . . . 0.0 112.455 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 80.44 -99.92 1.88 Allowed Glycine 0 N--CA 1.485 1.964 0 O-C-N 121.013 -1.054 . . . . 0.0 114.069 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 59.5 m -113.17 -31.43 6.63 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.05 124.07 50.82 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 120.958 1.708 . . . . 0.0 112.293 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -132.97 122.17 23.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.69 . . . . 0.0 111.566 -166.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' THR . . . . . . . . . . . . . 70.2 p -108.03 105.46 15.24 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.906 -1.121 . . . . 0.0 112.579 -163.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -88.94 98.48 11.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.653 -1.279 . . . . 0.0 110.625 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' THR . . . . . . . . . . . . . 92.7 m -81.88 112.74 19.28 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 122.036 0.922 . . . . 0.0 110.362 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ILE . . . . . . . . . . . . . 66.8 mt -79.43 95.83 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.707 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 94.5 p -75.54 -80.89 0.08 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -172.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 23.0 t -83.48 100.11 10.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.964 -1.085 . . . . 0.0 110.943 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 5.1 tt -82.3 97.8 8.48 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 121.551 0.691 . . . . 0.0 111.86 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -90.74 166.07 20.39 Favored Pre-proline 0 CA--C 1.585 2.322 0 C-N-CA 123.762 0.825 . . . . 0.0 112.583 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.55 -37.8 34.64 Favored 'Trans proline' 0 CA--C 1.572 2.416 0 N-CA-C 120.557 3.253 . . . . 0.0 120.557 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.8 -25.53 28.88 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 164.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.21 -9.71 59.0 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' VAL . . . . . . . . . . . . . 93.8 t -77.93 84.57 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.943 0 CA-C-N 119.84 1.2 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' ALA . . . . . . . . . . . . . . . -152.84 171.8 17.72 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 122.211 1.005 . . . . 0.0 113.248 -166.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 85.6 m -104.45 109.44 21.31 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 124.006 0.923 . . . . 0.0 110.178 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -101.13 89.43 3.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 112.175 -165.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -81.37 132.39 35.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.846 -1.159 . . . . 0.0 113.591 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' B' ' 161' ' ' CYS . 29.5 p -86.85 103.25 15.08 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 173.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -84.68 97.24 9.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 110.602 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -84.07 125.81 32.47 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -125.22 74.12 1.35 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 122.029 0.919 . . . . 0.0 111.779 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -148.56 -63.09 0.24 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.246 -0.909 . . . . 0.0 111.151 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' ASN . . . . . . . . . . . . 0.268 11.9 p30 -86.39 -90.92 0.1 Allowed 'General case' 0 CA--C 1.574 1.886 0 O-C-N 121.136 -0.977 . . . . 0.0 110.553 174.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' GLY . . . . . . . . . . . . . . . -77.28 -174.89 41.8 Favored Glycine 0 CA--C 1.549 2.218 0 O-C-N 120.756 -1.215 . . . . 0.0 115.412 157.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -123.77 86.66 2.61 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.707 -1.219 . . . . 0.0 107.707 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' THR . . . . . . . . . . . . . 77.8 p -122.61 136.31 54.85 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.596 0.712 . . . . 0.0 110.97 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 235' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -83.1 126.07 32.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.603 -0.686 . . . . 0.0 110.1 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 236' ' ' GLY . . . . . . . . . . . . . . . -81.24 -160.74 25.51 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.32 87.48 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 119.621 3.193 . . . . 0.0 119.621 -169.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.53 -147.43 21.36 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 116.291 1.276 . . . . 0.0 116.291 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 239' ' ' THR . . . . . . . . . . . . . 23.9 m -145.13 136.67 25.29 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.498 0.719 . . . . 0.0 110.789 -171.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -138.47 149.53 45.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 120.682 -1.261 . . . . 0.0 111.902 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 241' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.64 121.8 36.59 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.998 -1.064 . . . . 0.0 110.185 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 242' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 117.47 22.29 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 121.126 -0.984 . . . . 0.0 112.947 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 9.4 mp -86.16 107.83 18.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.054 -1.029 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 244' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -65.75 -49.55 68.0 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 245' ' ' ALA . . . . . . . . . . . . . . . -82.78 66.02 8.19 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 246' ' ' ALA . . . . . . . . . . . . . . . -157.92 170.91 21.27 Favored 'General case' 0 CA--C 1.571 1.785 0 C-N-CA 124.328 1.051 . . . . 0.0 112.066 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 247' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.45 90.63 1.72 Allowed 'General case' 0 CA--C 1.574 1.891 0 O-C-N 120.181 -1.574 . . . . 0.0 113.283 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 248' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -82.2 80.7 8.35 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 120.882 -1.136 . . . . 0.0 112.858 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 249' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -100.79 125.46 47.28 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 111.718 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 250' ' ' LEU . . . . . . . . . . . . . 25.3 tp -125.56 88.82 2.93 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.995 0.902 . . . . 0.0 111.492 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 251' ' ' ILE . . . . . . . . . . . . . 46.1 mt -76.14 130.26 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.976 -1.078 . . . . 0.0 109.195 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 69.6 m -79.3 81.58 5.55 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 253' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.57 97.06 10.58 Favored 'General case' 0 CA--C 1.568 1.67 0 C-N-CA 123.573 0.749 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.56 108.84 8.65 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -105.98 118.71 37.3 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 123.975 0.91 . . . . 0.0 110.879 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 256' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.42 78.74 3.04 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.277 -0.889 . . . . 0.0 112.179 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 257' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 168.351 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.3 m0 . . . . . 0 CA--C 1.572 1.825 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -132.53 145.5 57.49 Favored Pre-proline 0 CA--C 1.58 2.134 0 CA-C-N 120.929 1.695 . . . . 0.0 112.73 -164.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.07 100.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.571 2.372 0 C-N-CA 123.456 2.77 . . . . 0.0 115.653 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.49 -70.19 0.36 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 120.984 -1.072 . . . . 0.0 113.283 -154.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.291 3.7 p30 -65.75 -43.47 88.83 Favored 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 151.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.83 92.59 0.91 Allowed 'General case' 0 CA--C 1.571 1.759 0 O-C-N 121.279 -0.888 . . . . 0.0 109.842 162.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.82 -65.12 0.92 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -148.57 68.24 0.36 Allowed Glycine 0 N--CA 1.491 2.363 0 CA-C-O 118.839 -0.979 . . . . 0.0 113.315 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.21 -43.21 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.323 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.567 1.621 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.5 t -121.37 105.71 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 172.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -119.41 110.54 17.06 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.324 -0.86 . . . . 0.0 111.433 -170.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.99 98.66 11.9 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.228 -0.92 . . . . 0.0 111.966 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.13 90.5 5.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.932 . . . . 0.0 110.851 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . 0.251 0.0 OUTLIER -77.61 117.92 19.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.907 -1.12 . . . . 0.0 113.03 173.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 47.2 m -98.26 132.92 43.36 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-O 121.482 0.658 . . . . 0.0 112.142 -168.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.14 148.81 20.33 Favored Glycine 0 CA--C 1.56 2.871 0 CA-C-O 118.417 -1.213 . . . . 0.0 114.254 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.06 0.01 10.34 Favored 'Trans proline' 0 CA--C 1.57 2.311 0 N-CA-C 120.318 3.161 . . . . 0.0 120.318 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.3 -60.18 4.86 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.902 1.683 . . . . 0.0 116.055 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.4 tp -125.04 132.84 53.14 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 124.196 0.998 . . . . 0.0 110.343 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -135.96 144.97 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.065 -1.022 . . . . 0.0 110.864 173.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -79.61 129.63 70.71 Favored Pre-proline 0 CA--C 1.583 2.24 0 O-C-N 120.935 -1.103 . . . . 0.0 113.663 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -50.15 159.25 1.93 Allowed 'Trans proline' 0 CA--C 1.571 2.339 0 C-N-CA 123.3 2.667 . . . . 0.0 118.683 166.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . 0.373 9.9 m 84.33 -40.32 0.07 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -170.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.18 -136.17 0.05 Allowed 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 121.018 1.735 . . . . 0.0 113.549 -171.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 99.6 m -140.74 133.78 29.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.219 -1.551 . . . . 0.0 110.926 -171.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.33 111.78 22.89 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.292 -0.88 . . . . 0.0 111.475 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t -91.3 85.73 5.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.904 -1.122 . . . . 0.0 113.722 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.08 112.13 6.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.289 -0.882 . . . . 0.0 112.162 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -109.1 106.32 16.18 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.53 -0.731 . . . . 0.0 111.085 -166.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' B' ' 95' ' ' CYS . 51.9 t -83.68 94.04 8.04 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 173.218 179.927 115.382 49.279 101.928 2.954 101.359 152.878 75.59 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 56.4 m -82.73 108.07 15.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.636 0.774 . . . . 0.0 109.55 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.83 106.19 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.302 -0.874 . . . . 0.0 111.039 -170.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -83.13 88.94 6.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.457 -1.402 . . . . 0.0 111.071 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.79 -66.87 0.25 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 116.311 1.285 . . . . 0.0 116.311 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -109.2 150.22 28.22 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -78.49 133.66 37.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 121.142 -0.974 . . . . 0.0 112.746 168.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -56.74 -37.52 71.12 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 119.514 3.153 . . . . 0.0 119.514 -163.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 72.4 p -60.72 -25.58 66.55 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.4 p -68.15 -75.65 0.1 Allowed 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -103.9 79.76 1.68 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.285 1.402 . . . . 0.0 111.484 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 90.3 p -43.32 128.8 4.88 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 119.433 3.123 . . . . 0.0 119.433 -171.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 123.73 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 122.435 1.112 . . . . 0.0 111.563 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -103.86 133.68 48.42 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.219 1.007 . . . . 0.0 112.449 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -108.96 127.07 53.74 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 121.13 -0.981 . . . . 0.0 111.364 -170.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -134.47 120.79 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -94.56 132.38 39.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.698 -1.251 . . . . 0.0 112.527 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -116.1 97.92 50.32 Favored Pre-proline 0 CA--C 1.576 1.965 0 O-C-N 121.243 -0.91 . . . . 0.0 108.828 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -73.2 164.12 36.21 Favored 'Trans proline' 0 CA--C 1.563 1.929 0 C-N-CA 122.414 2.076 . . . . 0.0 117.252 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -68.89 90.44 0.43 Allowed 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.19 33.38 14.68 Favored Glycine 0 CA--C 1.551 2.321 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -169.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -131.69 -70.72 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 119.394 1.597 . . . . 0.0 112.74 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.38 175.44 14.97 Favored Glycine 0 CA--C 1.558 2.726 0 N-CA-C 116.651 1.42 . . . . 0.0 116.651 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.41 113.68 3.39 Favored 'Trans proline' 0 CA--C 1.568 2.193 0 CA-C-N 121.056 2.428 . . . . 0.0 115.458 -171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -101.19 125.92 47.86 Favored 'General case' 0 CA--C 1.564 1.498 0 O-C-N 121.171 -0.956 . . . . 0.0 109.917 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -70.3 118.19 12.81 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 120.953 -1.092 . . . . 0.0 110.654 165.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.7 mtm -85.18 -49.81 7.92 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.11 171.79 44.26 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -138.09 122.15 17.92 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 119.481 -2.188 . . . . 0.0 111.591 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ttt -83.15 110.97 18.49 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.634 -0.666 . . . . 0.0 110.509 163.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -82.43 -173.59 4.68 Favored 'General case' 0 CA--C 1.579 2.078 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -168.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -56.87 -55.52 33.44 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -165.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -70.63 -54.62 11.27 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.59 72.51 0.01 OUTLIER Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.751 -0.593 . . . . 0.0 113.624 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -134.84 118.22 16.75 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.456 0.628 . . . . 0.0 109.396 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -85.35 95.06 9.11 Favored 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 123.57 0.748 . . . . 0.0 111.837 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.79 138.26 31.58 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -135.92 161.64 35.07 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -163.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -66.38 137.06 56.61 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 169.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.0 m -58.46 -36.65 74.02 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.2 14.86 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 166.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.54 75.78 5.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.818 -1.176 . . . . 0.0 111.93 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -105.38 -79.1 0.56 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.676 -0.64 . . . . 0.0 111.488 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -72.75 -9.15 58.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 118.818 2.896 . . . . 0.0 118.818 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -62.88 -36.13 82.32 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 160.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.09 121.25 38.76 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.15 -0.969 . . . . 0.0 112.568 -164.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -123.68 104.52 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 110.963 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt -88.25 104.55 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.767 -1.208 . . . . 0.0 109.742 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 91.5 p -89.12 158.82 17.8 Favored 'General case' 0 CA--C 1.57 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 111.803 152.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -145.84 131.37 18.77 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 119.892 -1.755 . . . . 0.0 112.999 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -98.92 97.26 8.46 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 45.5 m -67.26 -28.97 68.47 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.3 m -68.59 -43.64 76.05 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.4 -1.46 41.45 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 171.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.13 38.26 8.43 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -123.8 118.62 27.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.291 -1.506 . . . . 0.0 113.046 -170.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.95 119.84 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 O-C-N 121.25 -0.906 . . . . 0.0 108.937 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -106.63 96.95 6.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.732 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.9 tp -81.62 100.23 9.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.41 101.23 13.69 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 121.668 0.747 . . . . 0.0 111.318 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 79.4 mtp -92.58 99.06 11.84 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.004 0.922 . . . . 0.0 110.719 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -89.5 147.99 23.67 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . 0.261 48.8 m 68.26 67.24 0.33 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.25 125.4 28.35 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -166.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -99.3 145.94 26.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.931 -1.106 . . . . 0.0 113.655 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 67.4 p -54.78 -31.82 59.31 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 119.28 3.067 . . . . 0.0 119.28 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -78.53 -0.63 30.35 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -83.39 36.2 0.52 Allowed 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 121.635 2.016 . . . . 0.0 116.25 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 53.6 m -79.36 116.94 19.9 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 119.853 -1.779 . . . . 0.0 110.303 170.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.87 168.16 40.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 118.251 2.061 . . . . 0.0 118.251 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.3 t -89.04 112.96 24.01 Favored 'General case' 0 CA--C 1.569 1.677 0 CA-C-O 122.074 0.94 . . . . 0.0 110.503 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -99.97 118.28 36.05 Favored 'General case' 0 CA--C 1.564 1.487 0 O-C-N 121.535 -0.728 . . . . 0.0 110.635 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -104.16 145.23 30.5 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 124.089 0.956 . . . . 0.0 113.172 -173.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' B' ' 22' ' ' CYS . 14.2 p -119.57 128.51 53.97 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.443 0.697 . . . . 0.0 110.762 165.428 75.59 152.878 49.279 101.359 2.954 101.928 115.382 179.927 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.4 m -122.87 122.71 39.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 111.68 -165.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -73.61 145.51 45.33 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.83 152.69 43.46 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.63 -38.14 48.61 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 163.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -87.33 131.2 34.34 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 121.053 -1.03 . . . . 0.0 112.18 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -105.36 92.03 0.8 Allowed Glycine 0 N--CA 1.49 2.252 0 O-C-N 121.963 -0.461 . . . . 0.0 113.839 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.58 -46.31 3.46 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -80.64 116.79 64.43 Favored Pre-proline 0 CA--C 1.584 2.263 0 C-N-CA 124.782 1.233 . . . . 0.0 114.203 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -78.01 -25.07 7.77 Favored 'Trans proline' 0 CA--C 1.572 2.384 0 N-CA-C 121.275 3.529 . . . . 0.0 121.275 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.07 111.63 2.27 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -157.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.05 65.42 2.11 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.94 -1.1 . . . . 0.0 115.134 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -67.7 111.92 4.51 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -153.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -67.41 -25.22 65.83 Favored 'General case' 0 CA--C 1.586 2.342 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . 0.576 35.5 m-85 88.7 -110.7 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 116.946 -1.502 . . . . 0.0 114.879 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -133.57 135.79 44.52 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 121.542 1.974 . . . . 0.0 114.293 -156.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -115.73 -76.36 0.57 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -87.28 96.02 10.19 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.778 1.172 . . . . 0.0 111.796 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -72.9 124.72 25.99 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.837 0.855 . . . . 0.0 110.773 163.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.52 172.8 17.78 Favored Glycine 0 CA--C 1.564 3.12 0 N-CA-C 116.499 1.359 . . . . 0.0 116.499 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.18 -7.96 21.46 Favored 'Trans proline' 0 CA--C 1.57 2.287 0 N-CA-C 120.711 3.312 . . . . 0.0 120.711 -170.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 81.84 96.62 0.46 Allowed Glycine 0 N--CA 1.49 2.273 0 CA-C-N 120.244 1.383 . . . . 0.0 114.268 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.8 t -79.19 112.95 16.91 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 118.196 0.998 . . . . 0.0 112.096 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 11.0 tpt -77.5 97.46 5.01 Favored 'General case' 0 CA--C 1.568 1.65 0 O-C-N 121.652 -0.655 . . . . 0.0 112.145 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.72 116.24 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' THR . . . . . . . . . . . . . 87.7 m -83.67 97.72 9.25 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.64 0.776 . . . . 0.0 110.445 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 t -85.93 66.82 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 CA-C-O 121.943 0.877 . . . . 0.0 109.651 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -166.49 109.04 0.73 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.192 -1.568 . . . . 0.0 109.461 -167.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -82.01 71.6 9.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.862 -1.149 . . . . 0.0 113.829 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.7 72.66 1.12 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . 174.9 -82.67 0.07 OUTLIER Glycine 0 N--CA 1.491 2.344 0 CA-C-N 117.77 0.785 . . . . 0.0 114.862 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.29 -82.04 1.47 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 116.731 1.452 . . . . 0.0 116.731 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -165.16 -76.69 0.03 OUTLIER Glycine 0 N--CA 1.493 2.472 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 88.2 p -139.51 138.96 36.79 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 117.795 0.798 . . . . 0.0 112.236 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -169.13 -167.93 30.42 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 164.65 -105.86 0.26 Allowed Glycine 0 N--CA 1.491 2.323 0 O-C-N 121.65 -0.911 . . . . 0.0 113.801 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -167.58 83.06 0.1 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 117.606 0.703 . . . . 0.0 113.172 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.4 -75.21 2.39 Favored Glycine 0 N--CA 1.495 2.619 0 CA-C-N 117.553 0.676 . . . . 0.0 114.209 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 79.4 p -86.64 83.83 7.52 Favored 'General case' 0 CA--C 1.57 1.743 0 O-C-N 121.96 -0.729 . . . . 0.0 112.152 166.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.04 96.4 0.11 Allowed Glycine 0 N--CA 1.489 2.179 0 N-CA-C 114.368 0.507 . . . . 0.0 114.368 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 159.03 113.16 0.34 Allowed Glycine 0 N--CA 1.491 2.345 0 CA-C-N 117.494 0.647 . . . . 0.0 113.02 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 164.47 113.61 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 CA-C-N 118.606 1.203 . . . . 0.0 115.598 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -174.55 135.18 3.03 Favored Glycine 0 N--CA 1.492 2.423 0 CA-C-N 117.533 0.667 . . . . 0.0 112.749 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 89.5 p -167.16 96.16 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.686 1.243 . . . . 0.0 111.48 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -136.32 106.83 6.49 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.934 -1.104 . . . . 0.0 111.26 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ILE . . . . . . . . . . . . . 18.9 tt -135.57 153.1 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 C-N-CA 124.55 1.14 . . . . 0.0 111.239 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -85.07 -47.05 10.58 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 114.18 3.76 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 120.66 1.573 . . . . 0.0 114.088 -168.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 23.7 p -68.43 98.75 0.88 Allowed 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 115.186 1.551 . . . . 0.0 115.186 -166.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -107.72 118.79 37.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.792 0.837 . . . . 0.0 110.231 171.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 63.6 m -122.84 116.26 29.07 Favored Pre-proline 0 CA--C 1.574 1.903 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.892 -165.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -89.61 123.9 5.9 Favored 'Cis proline' 0 CA--C 1.569 2.23 0 CA-C-N 124.171 2.525 . . . . 0.0 114.807 -0.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' SER . . . . . . . . . . . . . 8.2 t -68.12 -53.89 22.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.538 -1.351 . . . . 0.0 114.072 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 94.4 mt -83.04 114.68 21.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.196 -0.94 . . . . 0.0 110.862 166.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.57 169.73 16.85 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' SER . . . . . . . . . . . . . 93.0 p -134.12 70.78 1.45 Allowed 'General case' 0 CA--C 1.573 1.841 0 O-C-N 120.734 -1.229 . . . . 0.0 112.58 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -106.45 132.57 52.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.104 -0.997 . . . . 0.0 113.104 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 66.7 m -94.13 172.25 8.34 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.26 122.6 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.89 -1.132 . . . . 0.0 111.862 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 100.44 -27.34 20.88 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 118.822 2.289 . . . . 0.0 118.822 -165.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -80.53 124.47 28.98 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 119.801 1.801 . . . . 0.0 113.796 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -74.42 126.07 29.92 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.42 133.2 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.532 -0.73 . . . . 0.0 111.58 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.1 m -109.13 121.55 45.39 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 112.157 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 81.1 mt -92.49 107.32 19.12 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.83 0.852 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.2 m -90.48 102.11 14.84 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 111.629 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' CYS . . . . . 0.561 ' HG ' ' HG ' ' B' ' 226' ' ' CYS . 50.3 t -82.71 100.19 10.09 Favored 'General case' 0 CA--C 1.562 1.441 0 O-C-N 121.394 -0.816 . . . . 0.0 112.541 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -87.29 116.49 25.42 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 167.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -75.07 138.56 23.73 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 89.1 p -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 117.171 2.285 . . . . 0.0 117.171 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.6 157.42 30.82 Favored 'General case' 0 CA--C 1.577 2.014 0 O-C-N 121.367 -0.833 . . . . 0.0 111.175 159.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -63.23 135.07 56.87 Favored 'General case' 0 CA--C 1.578 2.054 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -172.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' ILE . . . . . . . . . . . . . 31.5 mt -105.23 -19.09 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -170.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' ASN . . . . . . . . . . . . 0.335 88.3 m-20 74.3 -81.1 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.91 1.686 . . . . 0.0 114.068 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -146.97 14.23 1.16 Allowed 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 168.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -109.45 79.97 1.27 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.939 -1.726 . . . . 0.0 111.652 -153.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.67 122.44 15.36 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 122.972 0.509 . . . . 0.0 109.913 -170.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' ALA . . . . . . . . . . . . . . . -101.3 124.38 46.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.917 . . . . 0.0 112.12 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -86.2 117.0 24.75 Favored 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 123.484 0.714 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -110.26 112.74 24.9 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 111.923 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -84.96 103.36 13.94 Favored 'General case' 0 CA--C 1.568 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 112.651 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -92.27 108.71 20.15 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.997 -1.064 . . . . 0.0 110.897 168.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -78.5 165.43 23.76 Favored 'General case' 0 CA--C 1.575 1.905 0 O-C-N 121.0 -1.063 . . . . 0.0 112.317 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . 0.272 0.0 OUTLIER -63.81 118.39 8.28 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 120.227 -1.545 . . . . 0.0 113.672 176.263 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.35 66.83 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 119.817 2.687 . . . . 0.0 119.817 -165.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.6 156.55 44.68 Favored 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.851 1.825 . . . . 0.0 112.479 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -77.49 145.33 71.58 Favored Pre-proline 0 CA--C 1.585 2.303 0 O-C-N 120.43 -1.419 . . . . 0.0 113.697 163.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.68 112.67 1.08 Allowed 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.86 2.373 . . . . 0.0 117.903 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -88.54 130.01 35.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.825 -1.172 . . . . 0.0 112.603 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.17 113.7 4.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.666 -1.271 . . . . 0.0 112.759 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 8.9 tp -97.11 -59.39 1.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.025 0.93 . . . . 0.0 112.192 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 186' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.58 123.64 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 187' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -96.17 161.47 13.94 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 188' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 50.21 43.61 26.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 189' ' ' THR . . . . . . . . . . . . 0.334 24.0 m 65.26 -74.69 0.05 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -164.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 190' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -123.23 75.14 1.28 Allowed 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.75 1.262 . . . . 0.0 111.931 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 191' ' ' SER . . . . . . . . . . . . . 72.9 m -149.76 108.51 3.85 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.3 145.08 37.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.623 -1.298 . . . . 0.0 113.052 -170.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.4 131.22 45.59 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 121.207 -0.933 . . . . 0.0 112.337 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 194' ' ' THR . . . . . . . . . . . . . 75.2 p -56.0 105.34 0.18 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 195' ' ' GLY . . . . . . . . . . . . . . . 138.44 -50.87 0.79 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 115.743 1.057 . . . . 0.0 115.743 -161.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 196' ' ' ILE . . . . . . . . . . . . . 15.7 tt -88.1 123.5 68.6 Favored Pre-proline 0 CA--C 1.585 2.308 0 CA-C-N 118.586 1.193 . . . . 0.0 113.488 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -59.11 168.48 4.6 Favored 'Trans proline' 0 CA--C 1.57 2.286 0 N-CA-C 118.515 2.467 . . . . 0.0 118.515 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' SER . . . . . . . . . . . . . 82.7 p -71.27 82.41 0.75 Allowed 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -136.61 -47.66 0.62 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -171.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.11 101.01 13.72 Favored 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.973 -1.08 . . . . 0.0 110.054 170.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 56.1 p -98.1 99.53 10.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.861 -1.15 . . . . 0.0 112.809 -173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -81.81 106.2 2.62 Favored Glycine 0 N--CA 1.492 2.43 0 CA-C-O 119.368 -0.685 . . . . 0.0 114.518 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 58.7 m -129.55 121.15 26.57 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.349 1.074 . . . . 0.0 112.953 -167.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . 167.49 174.63 36.71 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 116.046 1.179 . . . . 0.0 116.046 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' SER . . . . . . . . . . . . . 93.2 p -148.84 147.43 28.73 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.392 1.092 . . . . 0.0 112.455 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 80.44 -99.92 1.88 Allowed Glycine 0 N--CA 1.485 1.964 0 O-C-N 121.013 -1.054 . . . . 0.0 114.069 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 59.5 m -113.17 -31.43 6.63 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.05 124.07 50.82 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 120.958 1.708 . . . . 0.0 112.293 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -132.97 122.17 23.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.69 . . . . 0.0 111.566 -166.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' THR . . . . . . . . . . . . . 70.2 p -108.03 105.46 15.24 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.906 -1.121 . . . . 0.0 112.579 -163.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -88.94 98.48 11.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.653 -1.279 . . . . 0.0 110.625 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' THR . . . . . . . . . . . . . 92.7 m -81.88 112.74 19.28 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 122.036 0.922 . . . . 0.0 110.362 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ILE . . . . . . . . . . . . . 66.8 mt -79.43 95.83 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.707 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 94.5 p -75.54 -80.89 0.08 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -172.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 23.0 t -83.48 100.11 10.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.964 -1.085 . . . . 0.0 110.943 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 5.1 tt -82.3 97.8 8.48 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 121.551 0.691 . . . . 0.0 111.86 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -90.74 166.07 20.39 Favored Pre-proline 0 CA--C 1.585 2.322 0 C-N-CA 123.762 0.825 . . . . 0.0 112.583 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.55 -37.8 34.64 Favored 'Trans proline' 0 CA--C 1.572 2.416 0 N-CA-C 120.557 3.253 . . . . 0.0 120.557 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.8 -25.53 28.88 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 164.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.21 -9.71 59.0 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 221' ' ' VAL . . . . . . . . . . . . . 93.8 t -77.93 84.57 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.943 0 CA-C-N 119.84 1.2 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 222' ' ' ALA . . . . . . . . . . . . . . . -152.84 171.8 17.72 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 122.211 1.005 . . . . 0.0 113.248 -166.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 223' ' ' THR . . . . . 0.493 HG23 ' H ' ' B' ' 239' ' ' THR . 85.6 m -104.45 109.44 21.31 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 124.006 0.923 . . . . 0.0 110.178 -175.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 224' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -101.13 89.43 3.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 112.175 -165.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 225' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -81.37 132.39 35.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.846 -1.159 . . . . 0.0 113.591 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 226' ' ' CYS . . . . . 0.561 ' HG ' ' HG ' ' B' ' 161' ' ' CYS . 29.5 p -86.85 103.25 15.08 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 173.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 227' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -84.68 97.24 9.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 110.602 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -84.07 125.81 32.47 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 229' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -125.22 74.12 1.35 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 122.029 0.919 . . . . 0.0 111.779 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 230' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -148.56 -63.09 0.24 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.246 -0.909 . . . . 0.0 111.151 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 231' ' ' ASN . . . . . . . . . . . . 0.268 11.9 p30 -86.39 -90.92 0.1 Allowed 'General case' 0 CA--C 1.574 1.886 0 O-C-N 121.136 -0.977 . . . . 0.0 110.553 174.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 232' ' ' GLY . . . . . . . . . . . . . . . -77.28 -174.89 41.8 Favored Glycine 0 CA--C 1.549 2.218 0 O-C-N 120.756 -1.215 . . . . 0.0 115.412 157.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 233' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -123.77 86.66 2.61 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.707 -1.219 . . . . 0.0 107.707 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 234' ' ' THR . . . . . . . . . . . . . 77.8 p -122.61 136.31 54.85 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.596 0.712 . . . . 0.0 110.97 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 235' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -83.1 126.07 32.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.603 -0.686 . . . . 0.0 110.1 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 236' ' ' GLY . . . . . . . . . . . . . . . -81.24 -160.74 25.51 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.32 87.48 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 119.621 3.193 . . . . 0.0 119.621 -169.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.53 -147.43 21.36 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 116.291 1.276 . . . . 0.0 116.291 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 239' ' ' THR . . . . . 0.493 ' H ' HG23 ' B' ' 223' ' ' THR . 23.9 m -145.13 136.67 25.29 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.498 0.719 . . . . 0.0 110.789 -171.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 240' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -138.47 149.53 45.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 120.682 -1.261 . . . . 0.0 111.902 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 241' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.64 121.8 36.59 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.998 -1.064 . . . . 0.0 110.185 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 242' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 117.47 22.29 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 121.126 -0.984 . . . . 0.0 112.947 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 9.4 mp -86.16 107.83 18.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.054 -1.029 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 244' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -65.75 -49.55 68.0 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 245' ' ' ALA . . . . . . . . . . . . . . . -82.78 66.02 8.19 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 246' ' ' ALA . . . . . . . . . . . . . . . -157.92 170.91 21.27 Favored 'General case' 0 CA--C 1.571 1.785 0 C-N-CA 124.328 1.051 . . . . 0.0 112.066 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 247' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.45 90.63 1.72 Allowed 'General case' 0 CA--C 1.574 1.891 0 O-C-N 120.181 -1.574 . . . . 0.0 113.283 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 248' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -82.2 80.7 8.35 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 120.882 -1.136 . . . . 0.0 112.858 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 249' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -100.79 125.46 47.28 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 111.718 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 250' ' ' LEU . . . . . . . . . . . . . 25.3 tp -125.56 88.82 2.93 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.995 0.902 . . . . 0.0 111.492 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 251' ' ' ILE . . . . . . . . . . . . . 46.1 mt -76.14 130.26 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.976 -1.078 . . . . 0.0 109.195 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 69.6 m -79.3 81.58 5.55 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 253' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.57 97.06 10.58 Favored 'General case' 0 CA--C 1.568 1.67 0 C-N-CA 123.573 0.749 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.56 108.84 8.65 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -105.98 118.71 37.3 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 123.975 0.91 . . . . 0.0 110.879 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 256' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.42 78.74 3.04 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.277 -0.889 . . . . 0.0 112.179 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 257' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 168.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.3 m0 . . . . . 0 CA--C 1.572 1.825 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -132.53 145.5 57.49 Favored Pre-proline 0 CA--C 1.58 2.134 0 CA-C-N 120.929 1.695 . . . . 0.0 112.73 -164.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.07 100.15 0.06 OUTLIER 'Trans proline' 0 CA--C 1.571 2.372 0 C-N-CA 123.456 2.77 . . . . 0.0 115.653 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.49 -70.19 0.36 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 120.984 -1.072 . . . . 0.0 113.283 -154.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.291 3.7 p30 -65.75 -43.47 88.83 Favored 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 151.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.83 92.59 0.91 Allowed 'General case' 0 CA--C 1.571 1.759 0 O-C-N 121.279 -0.888 . . . . 0.0 109.842 162.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.82 -65.12 0.92 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -148.57 68.24 0.36 Allowed Glycine 0 N--CA 1.491 2.363 0 CA-C-O 118.839 -0.979 . . . . 0.0 113.315 172.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.21 -43.21 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.323 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.567 1.621 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.5 t -121.37 105.71 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 172.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -119.41 110.54 17.06 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.324 -0.86 . . . . 0.0 111.433 -170.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.99 98.66 11.9 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.228 -0.92 . . . . 0.0 111.966 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 tt -96.13 90.5 5.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.208 -0.932 . . . . 0.0 110.851 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . 0.251 0.0 OUTLIER -77.61 117.92 19.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.907 -1.12 . . . . 0.0 113.03 173.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 47.2 m -98.26 132.92 43.36 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-O 121.482 0.658 . . . . 0.0 112.142 -168.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.14 148.81 20.33 Favored Glycine 0 CA--C 1.56 2.871 0 CA-C-O 118.417 -1.213 . . . . 0.0 114.254 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.06 0.01 10.34 Favored 'Trans proline' 0 CA--C 1.57 2.311 0 N-CA-C 120.318 3.161 . . . . 0.0 120.318 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.3 -60.18 4.86 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.902 1.683 . . . . 0.0 116.055 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.4 tp -125.04 132.84 53.14 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 124.196 0.998 . . . . 0.0 110.343 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -135.96 144.97 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.065 -1.022 . . . . 0.0 110.864 173.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -79.61 129.63 70.71 Favored Pre-proline 0 CA--C 1.583 2.24 0 O-C-N 120.935 -1.103 . . . . 0.0 113.663 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -50.15 159.25 1.93 Allowed 'Trans proline' 0 CA--C 1.571 2.339 0 C-N-CA 123.3 2.667 . . . . 0.0 118.683 166.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . 0.373 9.9 m 84.33 -40.32 0.07 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -170.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.18 -136.17 0.05 Allowed 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 121.018 1.735 . . . . 0.0 113.549 -171.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 99.6 m -140.74 133.78 29.32 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.219 -1.551 . . . . 0.0 110.926 -171.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.33 111.78 22.89 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.292 -0.88 . . . . 0.0 111.475 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t -91.3 85.73 5.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.904 -1.122 . . . . 0.0 113.722 175.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.08 112.13 6.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.289 -0.882 . . . . 0.0 112.162 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.4 m -109.1 106.32 16.18 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.53 -0.731 . . . . 0.0 111.085 -166.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' B' ' 95' ' ' CYS . 51.9 t -83.68 94.04 8.04 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 173.218 179.927 115.382 49.279 101.928 2.954 101.359 152.878 75.59 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 56.4 m -82.73 108.07 15.82 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 123.636 0.774 . . . . 0.0 109.55 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.83 106.19 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.302 -0.874 . . . . 0.0 111.039 -170.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -83.13 88.94 6.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.457 -1.402 . . . . 0.0 111.071 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.79 -66.87 0.25 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 116.311 1.285 . . . . 0.0 116.311 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -109.2 150.22 28.22 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -78.49 133.66 37.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 121.142 -0.974 . . . . 0.0 112.746 168.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.6 mt -56.74 -37.52 71.12 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 119.514 3.153 . . . . 0.0 119.514 -163.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 72.4 p -60.72 -25.58 66.55 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.4 p -68.15 -75.65 0.1 Allowed 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -103.9 79.76 1.68 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.285 1.402 . . . . 0.0 111.484 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 90.3 p -43.32 128.8 4.88 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 119.433 3.123 . . . . 0.0 119.433 -171.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 93.9 t -81.16 123.73 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 122.435 1.112 . . . . 0.0 111.563 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -103.86 133.68 48.42 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.219 1.007 . . . . 0.0 112.449 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -108.96 127.07 53.74 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 121.13 -0.981 . . . . 0.0 111.364 -170.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -134.47 120.79 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -94.56 132.38 39.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.698 -1.251 . . . . 0.0 112.527 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -116.1 97.92 50.32 Favored Pre-proline 0 CA--C 1.576 1.965 0 O-C-N 121.243 -0.91 . . . . 0.0 108.828 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -73.2 164.12 36.21 Favored 'Trans proline' 0 CA--C 1.563 1.929 0 C-N-CA 122.414 2.076 . . . . 0.0 117.252 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 97.4 p -68.89 90.44 0.43 Allowed 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.19 33.38 14.68 Favored Glycine 0 CA--C 1.551 2.321 0 N-CA-C 119.19 2.436 . . . . 0.0 119.19 -169.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -131.69 -70.72 0.57 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 119.394 1.597 . . . . 0.0 112.74 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.38 175.44 14.97 Favored Glycine 0 CA--C 1.558 2.726 0 N-CA-C 116.651 1.42 . . . . 0.0 116.651 -178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.41 113.68 3.39 Favored 'Trans proline' 0 CA--C 1.568 2.193 0 CA-C-N 121.056 2.428 . . . . 0.0 115.458 -171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -101.19 125.92 47.86 Favored 'General case' 0 CA--C 1.564 1.498 0 O-C-N 121.171 -0.956 . . . . 0.0 109.917 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -70.3 118.19 12.81 Favored 'General case' 0 CA--C 1.569 1.699 0 O-C-N 120.953 -1.092 . . . . 0.0 110.654 165.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 73.7 mtm -85.18 -49.81 7.92 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.11 171.79 44.26 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -138.09 122.15 17.92 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 119.481 -2.188 . . . . 0.0 111.591 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ttt -83.15 110.97 18.49 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.634 -0.666 . . . . 0.0 110.509 163.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -82.43 -173.59 4.68 Favored 'General case' 0 CA--C 1.579 2.078 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -168.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -56.87 -55.52 33.44 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -165.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -70.63 -54.62 11.27 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.59 72.51 0.01 OUTLIER Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.751 -0.593 . . . . 0.0 113.624 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -134.84 118.22 16.75 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.456 0.628 . . . . 0.0 109.396 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -85.35 95.06 9.11 Favored 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 123.57 0.748 . . . . 0.0 111.837 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.79 138.26 31.58 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -135.92 161.64 35.07 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -163.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -66.38 137.06 56.61 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 169.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 38.0 m -58.46 -36.65 74.02 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.2 14.86 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 166.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.54 75.78 5.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.818 -1.176 . . . . 0.0 111.93 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -105.38 -79.1 0.56 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.676 -0.64 . . . . 0.0 111.488 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -72.75 -9.15 58.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 118.818 2.896 . . . . 0.0 118.818 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -62.88 -36.13 82.32 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 160.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.09 121.25 38.76 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.15 -0.969 . . . . 0.0 112.568 -164.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -123.68 104.52 9.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 110.963 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt -88.25 104.55 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.767 -1.208 . . . . 0.0 109.742 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 91.5 p -89.12 158.82 17.8 Favored 'General case' 0 CA--C 1.57 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 111.803 152.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -145.84 131.37 18.77 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 119.892 -1.755 . . . . 0.0 112.999 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -98.92 97.26 8.46 Favored 'General case' 0 CA--C 1.564 1.492 0 O-C-N 121.495 -0.753 . . . . 0.0 109.759 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 45.5 m -67.26 -28.97 68.47 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.3 m -68.59 -43.64 76.05 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.4 -1.46 41.45 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 171.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.13 38.26 8.43 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -123.8 118.62 27.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.291 -1.506 . . . . 0.0 113.046 -170.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.95 119.84 45.52 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 O-C-N 121.25 -0.906 . . . . 0.0 108.937 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -106.63 96.95 6.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.732 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 52.9 tp -81.62 100.23 9.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.548 -1.345 . . . . 0.0 111.289 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.41 101.23 13.69 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 121.668 0.747 . . . . 0.0 111.318 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 79.4 mtp -92.58 99.06 11.84 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.004 0.922 . . . . 0.0 110.719 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -89.5 147.99 23.67 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . 0.261 48.8 m 68.26 67.24 0.33 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.25 125.4 28.35 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -166.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -99.3 145.94 26.77 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.931 -1.106 . . . . 0.0 113.655 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 67.4 p -54.78 -31.82 59.31 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 119.28 3.067 . . . . 0.0 119.28 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -78.53 -0.63 30.35 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -83.39 36.2 0.52 Allowed 'General case' 0 CA--C 1.582 2.203 0 CA-C-N 121.635 2.016 . . . . 0.0 116.25 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 53.6 m -79.36 116.94 19.9 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 119.853 -1.779 . . . . 0.0 110.303 170.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.87 168.16 40.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 118.251 2.061 . . . . 0.0 118.251 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 14.3 t -89.04 112.96 24.01 Favored 'General case' 0 CA--C 1.569 1.677 0 CA-C-O 122.074 0.94 . . . . 0.0 110.503 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -99.97 118.28 36.05 Favored 'General case' 0 CA--C 1.564 1.487 0 O-C-N 121.535 -0.728 . . . . 0.0 110.635 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -104.16 145.23 30.5 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 124.089 0.956 . . . . 0.0 113.172 -173.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' B' ' 22' ' ' CYS . 14.2 p -119.57 128.51 53.97 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.443 0.697 . . . . 0.0 110.762 165.428 75.59 152.878 49.279 101.359 2.954 101.928 115.382 179.927 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.4 m -122.87 122.71 39.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 111.68 -165.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -73.61 145.51 45.33 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.83 152.69 43.46 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.63 -38.14 48.61 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 163.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -87.33 131.2 34.34 Favored 'General case' 0 CA--C 1.567 1.602 0 O-C-N 121.053 -1.03 . . . . 0.0 112.18 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -105.36 92.03 0.8 Allowed Glycine 0 N--CA 1.49 2.252 0 O-C-N 121.963 -0.461 . . . . 0.0 113.839 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.58 -46.31 3.46 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 -175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -80.64 116.79 64.43 Favored Pre-proline 0 CA--C 1.584 2.263 0 C-N-CA 124.782 1.233 . . . . 0.0 114.203 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -78.01 -25.07 7.77 Favored 'Trans proline' 0 CA--C 1.572 2.384 0 N-CA-C 121.275 3.529 . . . . 0.0 121.275 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -63.07 111.63 2.27 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -157.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.05 65.42 2.11 Favored Glycine 0 N--CA 1.496 2.634 0 O-C-N 120.94 -1.1 . . . . 0.0 115.134 -173.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -67.7 111.92 4.51 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -153.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -67.41 -25.22 65.83 Favored 'General case' 0 CA--C 1.586 2.342 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . 0.576 35.5 m-85 88.7 -110.7 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 116.946 -1.502 . . . . 0.0 114.879 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -133.57 135.79 44.52 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-N 121.542 1.974 . . . . 0.0 114.293 -156.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p30 -115.73 -76.36 0.57 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -87.28 96.02 10.19 Favored 'General case' 0 CA--C 1.566 1.571 0 CA-C-N 119.778 1.172 . . . . 0.0 111.796 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -72.9 124.72 25.99 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.837 0.855 . . . . 0.0 110.773 163.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.52 172.8 17.78 Favored Glycine 0 CA--C 1.564 3.12 0 N-CA-C 116.499 1.359 . . . . 0.0 116.499 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.18 -7.96 21.46 Favored 'Trans proline' 0 CA--C 1.57 2.287 0 N-CA-C 120.711 3.312 . . . . 0.0 120.711 -170.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 81.84 96.62 0.46 Allowed Glycine 0 N--CA 1.49 2.273 0 CA-C-N 120.244 1.383 . . . . 0.0 114.268 -176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.8 t -79.19 112.95 16.91 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 118.196 0.998 . . . . 0.0 112.096 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 11.0 tpt -77.5 97.46 5.01 Favored 'General case' 0 CA--C 1.568 1.65 0 O-C-N 121.652 -0.655 . . . . 0.0 112.145 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.72 116.24 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' THR . . . . . . . . . . . . . 87.7 m -83.67 97.72 9.25 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.64 0.776 . . . . 0.0 110.445 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 t -85.93 66.82 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 CA-C-O 121.943 0.877 . . . . 0.0 109.651 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -166.49 109.04 0.73 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.192 -1.568 . . . . 0.0 109.461 -167.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 48.0 t -82.01 71.6 9.06 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.862 -1.149 . . . . 0.0 113.829 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.7 72.66 1.12 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 115.13 0.812 . . . . 0.0 115.13 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' GLY . . . . . . . . . . . . . . . 174.9 -82.67 0.07 OUTLIER Glycine 0 N--CA 1.491 2.344 0 CA-C-N 117.77 0.785 . . . . 0.0 114.862 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 89.29 -82.04 1.47 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 116.731 1.452 . . . . 0.0 116.731 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -165.16 -76.69 0.03 OUTLIER Glycine 0 N--CA 1.493 2.472 0 N-CA-C 115.41 0.924 . . . . 0.0 115.41 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 88.2 p -139.51 138.96 36.79 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 117.795 0.798 . . . . 0.0 112.236 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLY . . . . . . . . . . . . . . . -169.13 -167.93 30.42 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 115.223 0.849 . . . . 0.0 115.223 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 164.65 -105.86 0.26 Allowed Glycine 0 N--CA 1.491 2.323 0 O-C-N 121.65 -0.911 . . . . 0.0 113.801 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -167.58 83.06 0.1 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 117.606 0.703 . . . . 0.0 113.172 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.4 -75.21 2.39 Favored Glycine 0 N--CA 1.495 2.619 0 CA-C-N 117.553 0.676 . . . . 0.0 114.209 -169.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 79.4 p -86.64 83.83 7.52 Favored 'General case' 0 CA--C 1.57 1.743 0 O-C-N 121.96 -0.729 . . . . 0.0 112.152 166.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.04 96.4 0.11 Allowed Glycine 0 N--CA 1.489 2.179 0 N-CA-C 114.368 0.507 . . . . 0.0 114.368 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 159.03 113.16 0.34 Allowed Glycine 0 N--CA 1.491 2.345 0 CA-C-N 117.494 0.647 . . . . 0.0 113.02 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 164.47 113.61 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 CA-C-N 118.606 1.203 . . . . 0.0 115.598 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -174.55 135.18 3.03 Favored Glycine 0 N--CA 1.492 2.423 0 CA-C-N 117.533 0.667 . . . . 0.0 112.749 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 89.5 p -167.16 96.16 0.49 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 118.686 1.243 . . . . 0.0 111.48 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -136.32 106.83 6.49 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.934 -1.104 . . . . 0.0 111.26 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ILE . . . . . . . . . . . . . 18.9 tt -135.57 153.1 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 C-N-CA 124.55 1.14 . . . . 0.0 111.239 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -85.07 -47.05 10.58 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 -164.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 114.18 3.76 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 120.66 1.573 . . . . 0.0 114.088 -168.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 23.7 p -68.43 98.75 0.88 Allowed 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 115.186 1.551 . . . . 0.0 115.186 -166.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -107.72 118.79 37.67 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.792 0.837 . . . . 0.0 110.231 171.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 63.6 m -122.84 116.26 29.07 Favored Pre-proline 0 CA--C 1.574 1.903 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.892 -165.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -89.61 123.9 5.9 Favored 'Cis proline' 0 CA--C 1.569 2.23 0 CA-C-N 124.171 2.525 . . . . 0.0 114.807 -0.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' SER . . . . . . . . . . . . . 8.2 t -68.12 -53.89 22.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.538 -1.351 . . . . 0.0 114.072 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 94.4 mt -83.04 114.68 21.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.196 -0.94 . . . . 0.0 110.862 166.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.57 169.73 16.85 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' SER . . . . . . . . . . . . . 93.0 p -134.12 70.78 1.45 Allowed 'General case' 0 CA--C 1.573 1.841 0 O-C-N 120.734 -1.229 . . . . 0.0 112.58 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -106.45 132.57 52.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.104 -0.997 . . . . 0.0 113.104 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 66.7 m -94.13 172.25 8.34 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.26 122.6 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.184 0 O-C-N 120.89 -1.132 . . . . 0.0 111.862 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' GLY . . . . . . . . . . . . . . . 100.44 -27.34 20.88 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 118.822 2.289 . . . . 0.0 118.822 -165.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -80.53 124.47 28.98 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 119.801 1.801 . . . . 0.0 113.796 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -74.42 126.07 29.92 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' VAL . . . . . . . . . . . . . 8.8 p -137.42 133.2 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.532 -0.73 . . . . 0.0 111.58 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 89.1 m -109.13 121.55 45.39 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.124 -0.985 . . . . 0.0 112.157 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 81.1 mt -92.49 107.32 19.12 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 123.83 0.852 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.2 m -90.48 102.11 14.84 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.358 -0.839 . . . . 0.0 111.629 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' CYS . . . . . 0.561 ' HG ' ' HG ' ' B' ' 226' ' ' CYS . 50.3 t -82.71 100.19 10.09 Favored 'General case' 0 CA--C 1.562 1.441 0 O-C-N 121.394 -0.816 . . . . 0.0 112.541 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -87.29 116.49 25.42 Favored 'General case' 0 CA--C 1.564 1.515 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 167.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . -75.07 138.56 23.73 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 89.1 p -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 117.171 2.285 . . . . 0.0 117.171 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -121.6 157.42 30.82 Favored 'General case' 0 CA--C 1.577 2.014 0 O-C-N 121.367 -0.833 . . . . 0.0 111.175 159.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.23 135.07 56.87 Favored 'General case' 0 CA--C 1.578 2.054 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -172.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' ILE . . . . . . . . . . . . . 31.5 mt -105.23 -19.09 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -170.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' ASN . . . . . . . . . . . . 0.335 88.3 m-20 74.3 -81.1 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.91 1.686 . . . . 0.0 114.068 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -146.97 14.23 1.16 Allowed 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 168.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -109.45 79.97 1.27 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 119.939 -1.726 . . . . 0.0 111.652 -153.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.67 122.44 15.36 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 122.972 0.509 . . . . 0.0 109.913 -170.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' ALA . . . . . . . . . . . . . . . -101.3 124.38 46.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.917 . . . . 0.0 112.12 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -86.2 117.0 24.75 Favored 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 123.484 0.714 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -110.26 112.74 24.9 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.298 -0.876 . . . . 0.0 111.923 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -84.96 103.36 13.94 Favored 'General case' 0 CA--C 1.568 1.67 0 O-C-N 121.324 -0.86 . . . . 0.0 112.651 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -92.27 108.71 20.15 Favored 'General case' 0 CA--C 1.566 1.572 0 O-C-N 120.997 -1.064 . . . . 0.0 110.897 168.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -78.5 165.43 23.76 Favored 'General case' 0 CA--C 1.575 1.905 0 O-C-N 121.0 -1.063 . . . . 0.0 112.317 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . 0.272 0.0 OUTLIER -63.81 118.39 8.28 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 120.227 -1.545 . . . . 0.0 113.672 176.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 77.91 23.35 66.83 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 119.817 2.687 . . . . 0.0 119.817 -165.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.6 156.55 44.68 Favored 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.851 1.825 . . . . 0.0 112.479 -174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' ALA . . . . . . . . . . . . . . . -77.49 145.33 71.58 Favored Pre-proline 0 CA--C 1.585 2.303 0 O-C-N 120.43 -1.419 . . . . 0.0 113.697 163.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.68 112.67 1.08 Allowed 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.86 2.373 . . . . 0.0 117.903 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -88.54 130.01 35.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.825 -1.172 . . . . 0.0 112.603 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.17 113.7 4.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.666 -1.271 . . . . 0.0 112.759 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 8.9 tp -97.11 -59.39 1.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.025 0.93 . . . . 0.0 112.192 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.58 123.64 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -96.17 161.47 13.94 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 50.21 43.61 26.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' THR . . . . . . . . . . . . 0.334 24.0 m 65.26 -74.69 0.05 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -164.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -123.23 75.14 1.28 Allowed 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 122.75 1.262 . . . . 0.0 111.931 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' SER . . . . . . . . . . . . . 72.9 m -149.76 108.51 3.85 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.3 145.08 37.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.623 -1.298 . . . . 0.0 113.052 -170.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.4 131.22 45.59 Favored 'General case' 0 CA--C 1.575 1.908 0 O-C-N 121.207 -0.933 . . . . 0.0 112.337 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' THR . . . . . . . . . . . . . 75.2 p -56.0 105.34 0.18 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' GLY . . . . . . . . . . . . . . . 138.44 -50.87 0.79 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 115.743 1.057 . . . . 0.0 115.743 -161.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' ILE . . . . . . . . . . . . . 15.7 tt -88.1 123.5 68.6 Favored Pre-proline 0 CA--C 1.585 2.308 0 CA-C-N 118.586 1.193 . . . . 0.0 113.488 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -59.11 168.48 4.6 Favored 'Trans proline' 0 CA--C 1.57 2.286 0 N-CA-C 118.515 2.467 . . . . 0.0 118.515 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' SER . . . . . . . . . . . . . 82.7 p -71.27 82.41 0.75 Allowed 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -136.61 -47.66 0.62 Allowed 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -171.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.11 101.01 13.72 Favored 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.973 -1.08 . . . . 0.0 110.054 170.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' SER . . . . . . . . . . . . . 56.1 p -98.1 99.53 10.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.861 -1.15 . . . . 0.0 112.809 -173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -81.81 106.2 2.62 Favored Glycine 0 N--CA 1.492 2.43 0 CA-C-O 119.368 -0.685 . . . . 0.0 114.518 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' SER . . . . . . . . . . . . . 58.7 m -129.55 121.15 26.57 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 118.349 1.074 . . . . 0.0 112.953 -167.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . 167.49 174.63 36.71 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 116.046 1.179 . . . . 0.0 116.046 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' SER . . . . . . . . . . . . . 93.2 p -148.84 147.43 28.73 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.392 1.092 . . . . 0.0 112.455 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' GLY . . . . . . . . . . . . . . . 80.44 -99.92 1.88 Allowed Glycine 0 N--CA 1.485 1.964 0 O-C-N 121.013 -1.054 . . . . 0.0 114.069 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 59.5 m -113.17 -31.43 6.63 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.05 124.07 50.82 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 120.958 1.708 . . . . 0.0 112.293 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -132.97 122.17 23.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.69 . . . . 0.0 111.566 -166.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' THR . . . . . . . . . . . . . 70.2 p -108.03 105.46 15.24 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.906 -1.121 . . . . 0.0 112.579 -163.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -88.94 98.48 11.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.653 -1.279 . . . . 0.0 110.625 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' THR . . . . . . . . . . . . . 92.7 m -81.88 112.74 19.28 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 122.036 0.922 . . . . 0.0 110.362 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ILE . . . . . . . . . . . . . 66.8 mt -79.43 95.83 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.707 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 167.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 94.5 p -75.54 -80.89 0.08 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -172.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 23.0 t -83.48 100.11 10.53 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.964 -1.085 . . . . 0.0 110.943 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' LEU . . . . . . . . . . . . . 5.1 tt -82.3 97.8 8.48 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-O 121.551 0.691 . . . . 0.0 111.86 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -90.74 166.07 20.39 Favored Pre-proline 0 CA--C 1.585 2.322 0 C-N-CA 123.762 0.825 . . . . 0.0 112.583 171.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.55 -37.8 34.64 Favored 'Trans proline' 0 CA--C 1.572 2.416 0 N-CA-C 120.557 3.253 . . . . 0.0 120.557 175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.8 -25.53 28.88 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 164.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.21 -9.71 59.0 Favored 'General case' 0 CA--C 1.58 2.108 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' VAL . . . . . . . . . . . . . 93.8 t -77.93 84.57 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.943 0 CA-C-N 119.84 1.2 . . . . 0.0 109.505 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' ALA . . . . . . . . . . . . . . . -152.84 171.8 17.72 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 122.211 1.005 . . . . 0.0 113.248 -166.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . 0.493 HG23 ' H ' ' B' ' 239' ' ' THR . 85.6 m -104.45 109.44 21.31 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 124.006 0.923 . . . . 0.0 110.178 -175.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -101.13 89.43 3.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 112.175 -165.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -81.37 132.39 35.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.846 -1.159 . . . . 0.0 113.591 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' CYS . . . . . 0.561 ' HG ' ' HG ' ' B' ' 161' ' ' CYS . 29.5 p -86.85 103.25 15.08 Favored 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 173.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -84.68 97.24 9.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 110.602 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -84.07 125.81 32.47 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -125.22 74.12 1.35 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 122.029 0.919 . . . . 0.0 111.779 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -148.56 -63.09 0.24 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.246 -0.909 . . . . 0.0 111.151 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' ASN . . . . . . . . . . . . 0.268 11.9 p30 -86.39 -90.92 0.1 Allowed 'General case' 0 CA--C 1.574 1.886 0 O-C-N 121.136 -0.977 . . . . 0.0 110.553 174.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' GLY . . . . . . . . . . . . . . . -77.28 -174.89 41.8 Favored Glycine 0 CA--C 1.549 2.218 0 O-C-N 120.756 -1.215 . . . . 0.0 115.412 157.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -123.77 86.66 2.61 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.707 -1.219 . . . . 0.0 107.707 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' THR . . . . . . . . . . . . . 77.8 p -122.61 136.31 54.85 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.596 0.712 . . . . 0.0 110.97 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 235' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -83.1 126.07 32.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.603 -0.686 . . . . 0.0 110.1 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 236' ' ' GLY . . . . . . . . . . . . . . . -81.24 -160.74 25.51 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.32 87.48 Favored 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 119.621 3.193 . . . . 0.0 119.621 -169.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 238' ' ' GLY . . . . . . . . . . . . . . . 86.53 -147.43 21.36 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 116.291 1.276 . . . . 0.0 116.291 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 239' ' ' THR . . . . . 0.493 ' H ' HG23 ' B' ' 223' ' ' THR . 23.9 m -145.13 136.67 25.29 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 123.498 0.719 . . . . 0.0 110.789 -171.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -138.47 149.53 45.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 120.682 -1.261 . . . . 0.0 111.902 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 241' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.64 121.8 36.59 Favored 'General case' 0 CA--C 1.568 1.641 0 O-C-N 120.998 -1.064 . . . . 0.0 110.185 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 242' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 117.47 22.29 Favored 'General case' 0 CA--C 1.57 1.723 0 O-C-N 121.126 -0.984 . . . . 0.0 112.947 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 9.4 mp -86.16 107.83 18.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.054 -1.029 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 244' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -65.75 -49.55 68.0 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 245' ' ' ALA . . . . . . . . . . . . . . . -82.78 66.02 8.19 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 246' ' ' ALA . . . . . . . . . . . . . . . -157.92 170.91 21.27 Favored 'General case' 0 CA--C 1.571 1.785 0 C-N-CA 124.328 1.051 . . . . 0.0 112.066 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 247' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.45 90.63 1.72 Allowed 'General case' 0 CA--C 1.574 1.891 0 O-C-N 120.181 -1.574 . . . . 0.0 113.283 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 248' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -82.2 80.7 8.35 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 120.882 -1.136 . . . . 0.0 112.858 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 249' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -100.79 125.46 47.28 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 111.718 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 250' ' ' LEU . . . . . . . . . . . . . 25.3 tp -125.56 88.82 2.93 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.995 0.902 . . . . 0.0 111.492 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 251' ' ' ILE . . . . . . . . . . . . . 46.1 mt -76.14 130.26 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.976 -1.078 . . . . 0.0 109.195 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 252' ' ' SER . . . . . . . . . . . . . 69.6 m -79.3 81.58 5.55 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 253' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.57 97.06 10.58 Favored 'General case' 0 CA--C 1.568 1.67 0 C-N-CA 123.573 0.749 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -75.56 108.84 8.65 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 255' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -105.98 118.71 37.3 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 123.975 0.91 . . . . 0.0 110.879 172.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 256' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.42 78.74 3.04 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.277 -0.889 . . . . 0.0 112.179 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 257' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 168.351 . . . . . . . . 0 0 . 1 stop_ save_