data_1niq_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 1niq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.299 0.571 . . . . 99.989999999999995 110.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.2 120.84 15.65 Favored 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 124.233 1.013 . . . . 99.989999999999995 111.798 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -131.95 131.53 42.71 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 115.1 1.519 . . . . 99.989999999999995 115.1 -160.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.11 120.29 35.07 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.761 0.825 . . . . 99.989999999999995 111.849 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -102.89 142.38 24.43 Favored Pre-proline 0 N--CA 1.5 2.067 0 N-CA-C 114.308 1.225 . . . . 99.989999999999995 114.308 -167.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.02 121.7 5.48 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 C-N-CA 122.452 2.101 . . . . 99.989999999999995 114.194 167.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.36 118.43 32.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.799 0.809 . . . . 99.989999999999995 111.268 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -128.58 159.58 67.12 Favored Pre-proline 0 CA--C 1.584 2.253 0 C-N-CA 123.421 0.689 . . . . 99.989999999999995 112.51 -159.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -89.99 136.98 2.61 Favored 'Trans proline' 0 CA--C 1.571 2.343 0 C-N-CA 122.733 2.289 . . . . 99.989999999999995 115.007 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -131.58 118.8 20.58 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.525 -0.735 . . . . 99.989999999999995 111.537 172.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -73.58 -60.28 2.32 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 114.451 1.278 . . . . 99.989999999999995 114.451 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -113.2 141.19 47.24 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 124.096 0.958 . . . . 99.989999999999995 109.561 164.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -72.2 -49.9 31.84 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 117.032 2.234 . . . . 99.989999999999995 117.032 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.65 -39.6 84.94 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 121.021 1.737 . . . . 99.989999999999995 114.98 166.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.3 m -54.34 -52.84 60.32 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 116.911 2.189 . . . . 99.989999999999995 116.911 170.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -68.4 -51.22 46.4 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 119.575 1.08 . . . . 99.989999999999995 113.549 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.04 78.75 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 117.859 2.54 . . . . 99.989999999999995 117.859 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.46 69.85 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.828 2.529 . . . . 99.989999999999995 117.828 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -55.57 -51.31 67.52 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 115.895 1.813 . . . . 99.989999999999995 115.895 163.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -71.66 -38.02 70.72 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.291 1.96 . . . . 99.989999999999995 116.291 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.99 -28.16 67.2 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 116.055 1.872 . . . . 99.989999999999995 116.055 172.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -53.97 -44.1 70.47 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 119.594 -1.942 . . . . 99.989999999999995 115.853 153.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.29 29.37 0.18 Allowed 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 116.489 2.033 . . . . 99.989999999999995 116.489 170.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 -9.08 27.52 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 120.831 3.093 . . . . 99.989999999999995 120.831 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -85.21 85.92 7.42 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 120.235 2.017 . . . . 99.989999999999995 112.472 -172.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.39 150.31 50.73 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 116.791 1.476 . . . . 99.989999999999995 116.791 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mt -79.2 84.9 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 CA-C-O 122.241 1.02 . . . . 99.989999999999995 109.998 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.52 -36.78 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 N-CA-C 115.329 1.603 . . . . 99.989999999999995 115.329 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.572 ' CG ' H501 ' B' 3402 ' ' BLM . 1.8 t80 -136.52 140.06 42.71 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 124.864 1.266 . . . . 99.989999999999995 108.573 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -153.26 124.3 7.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.547 -0.72 . . . . 99.989999999999995 110.385 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.688 ' OD2' H521 ' B' 3402 ' ' BLM 0.278 54.6 p30 -115.39 -89.05 0.57 Allowed 'General case' 0 CA--C 1.575 1.934 0 CA-C-O 121.644 0.735 . . . . 99.989999999999995 111.821 172.184 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.22 -40.09 0.05 Allowed 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 126.496 1.919 . . . . 99.989999999999995 112.364 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.95 -25.83 39.66 Favored Glycine 0 CA--C 1.553 2.461 0 N-CA-C 119.013 2.365 . . . . 99.989999999999995 119.013 166.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 1.048 ' CZ2' ' C44' ' B' 3402 ' ' BLM . 24.5 t-105 -135.42 146.75 48.59 Favored 'General case' 0 CA--C 1.578 2.043 0 CA-C-N 119.855 1.828 . . . . 99.989999999999995 111.946 -173.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' MET . . . . . . . . . . . . . 63.9 ttp -146.92 108.63 4.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.272 -1.517 . . . . 99.989999999999995 110.662 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.598 ' CG1' ' C46' ' B' 3402 ' ' BLM . 58.3 mt -94.54 115.39 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.749 -1.219 . . . . 99.989999999999995 109.019 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.5 114.11 27.46 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.345 1.058 . . . . 99.989999999999995 108.818 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -134.54 106.95 7.26 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.614 -1.304 . . . . 99.989999999999995 113.676 -159.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -91.36 88.76 6.98 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.704 -1.247 . . . . 99.989999999999995 111.065 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.5 -99.73 0.27 Allowed Glycine 0 N--CA 1.496 2.666 0 N-CA-C 114.612 0.605 . . . . 99.989999999999995 114.612 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.72 -10.24 55.92 Favored 'General case' 0 CA--C 1.587 2.4 0 N-CA-C 117.203 2.297 . . . . 99.989999999999995 117.203 171.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.49 94.78 7.22 Favored 'General case' 0 CA--C 1.573 1.84 0 O-C-N 119.565 -1.959 . . . . 99.989999999999995 113.67 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.5 ttm -84.9 124.42 31.61 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.404 -1.435 . . . . 99.989999999999995 113.854 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.28 118.09 27.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.259 -0.901 . . . . 99.989999999999995 110.695 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.14 104.6 16.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 99.989999999999995 111.647 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -99.52 109.68 22.2 Favored 'General case' 0 CA--C 1.565 1.552 0 O-C-N 120.759 -1.213 . . . . 99.989999999999995 112.149 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -87.14 148.31 25.25 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 113.749 1.018 . . . . 99.989999999999995 113.749 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.2 104.52 1.48 Allowed 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 114.293 1.22 . . . . 99.989999999999995 114.293 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.57 72.86 81.89 Favored Pre-proline 0 CA--C 1.578 2.056 0 C-N-CA 123.331 0.652 . . . . 99.989999999999995 111.444 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.89 -21.99 36.92 Favored 'Trans proline' 0 CA--C 1.57 2.299 0 N-CA-C 118.243 2.363 . . . . 99.989999999999995 118.243 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 66.71 3.81 Favored Glycine 0 N--CA 1.494 2.507 0 CA-C-N 119.773 1.169 . . . . 99.989999999999995 115.43 165.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 tp -128.01 127.95 44.13 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.225 1.01 . . . . 99.989999999999995 109.693 -175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.92 115.16 63.27 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.328 -0.844 . . . . 99.989999999999995 109.816 159.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.71 -26.02 44.97 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.078 3.069 . . . . 99.989999999999995 120.078 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 76.2 mt -70.16 -47.63 60.82 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 114.503 1.298 . . . . 99.989999999999995 114.503 168.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.23 12.49 1.87 Allowed 'General case' 0 CA--C 1.583 2.239 0 N-CA-C 118.967 2.951 . . . . 99.989999999999995 118.967 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 40.9 t -79.23 89.13 4.89 Favored 'General case' 0 CA--C 1.571 1.774 0 O-C-N 120.194 -1.566 . . . . 99.989999999999995 114.307 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -80.4 68.29 6.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.861 -1.15 . . . . 99.989999999999995 113.987 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.65 96.9 3.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 99.989999999999995 108.979 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -113.53 152.55 30.07 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.576 0.954 . . . . 99.989999999999995 113.576 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -156.05 130.56 8.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.277 -0.889 . . . . 99.989999999999995 111.67 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 39.1 m -84.6 133.59 34.42 Favored 'General case' 0 CA--C 1.568 1.648 0 O-C-N 120.061 -1.649 . . . . 99.989999999999995 113.895 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.54 107.42 19.59 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.313 -0.867 . . . . 99.989999999999995 109.585 167.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 1.135 ' NH2' ' S46' ' B' 2402 ' ' BLM . 38.0 mtt180 -91.9 74.54 5.65 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 114.132 1.16 . . . . 99.989999999999995 114.132 -171.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 9.2 mt -88.77 129.71 35.5 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 114.171 1.175 . . . . 99.989999999999995 114.171 -164.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . 0.427 1.3 m-20 -58.36 -28.39 65.08 Favored 'General case' 0 CA--C 1.624 3.819 0 N-CA-C 116.979 2.215 . . . . 99.989999999999995 116.979 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.18 141.34 48.27 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 123.586 2.903 . . . . 99.989999999999995 110.563 149.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.0 tp -87.25 -26.8 23.3 Favored 'General case' 0 CA--C 1.576 1.98 0 N-CA-C 116.706 2.113 . . . . 99.989999999999995 116.706 165.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.16 97.38 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 117.273 2.323 . . . . 99.989999999999995 117.273 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.16 -67.97 0.22 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.151 1.796 . . . . 99.989999999999995 114.756 168.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.69 -33.42 75.04 Favored 'General case' 0 CA--C 1.578 2.027 0 N-CA-C 116.911 2.189 . . . . 99.989999999999995 116.911 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -69.53 -43.7 72.47 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 115.621 1.712 . . . . 99.989999999999995 115.621 169.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -58.31 -40.75 82.84 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 116.111 1.893 . . . . 99.989999999999995 116.111 163.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -51.52 -54.02 31.59 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.005 1.484 . . . . 99.989999999999995 115.005 165.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 69.6 m -52.73 -49.63 65.05 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.35 2.352 . . . . 99.989999999999995 117.35 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -62.97 -40.55 98.04 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.71 1.745 . . . . 99.989999999999995 115.71 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -75.34 -39.37 59.43 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 118.078 2.622 . . . . 99.989999999999995 118.078 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.97 -37.1 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 CA-C-N 121.511 1.959 . . . . 99.989999999999995 115.638 173.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.63 64.19 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 C-N-CA 123.776 0.703 . . . . 99.989999999999995 114.591 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.4 mt -136.17 118.0 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 106.226 -1.768 . . . . 99.989999999999995 106.226 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -80.32 136.16 36.36 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.503 1.668 . . . . 99.989999999999995 115.503 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -80.8 103.42 10.63 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 121.869 0.842 . . . . 99.989999999999995 110.618 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -149.06 135.53 19.42 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.134 -0.979 . . . . 99.989999999999995 112.023 -165.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 97.5 p -64.61 -46.06 84.25 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.261 1.948 . . . . 99.989999999999995 116.261 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -102.5 124.92 48.92 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 121.512 -0.742 . . . . 99.989999999999995 111.533 170.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.34 158.83 8.41 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 115.179 0.832 . . . . 99.989999999999995 115.179 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.38 116.35 3.4 Favored Pre-proline 0 CA--C 1.577 1.998 0 CA-C-O 117.872 -1.061 . . . . 99.989999999999995 109.388 165.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.03 149.88 94.71 Favored 'Cis proline' 0 CA--C 1.573 2.43 0 CA-C-N 123.252 2.197 . . . . 99.989999999999995 117.341 7.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -143.37 155.55 44.45 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.18 0.807 . . . . 99.989999999999995 113.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 pt -131.26 148.76 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.071 -1.018 . . . . 99.989999999999995 111.564 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -131.97 143.91 50.44 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.13 -0.981 . . . . 99.989999999999995 111.244 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.06 165.29 54.04 Favored Pre-proline 0 CA--C 1.588 2.42 0 N-CA-C 119.142 3.016 . . . . 99.989999999999995 119.142 -162.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.51 114.72 3.01 Favored 'Trans proline' 0 CA--C 1.578 2.697 0 C-N-CA 122.813 2.342 . . . . 99.989999999999995 117.861 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -120.85 177.77 4.97 Favored 'General case' 0 CA--C 1.586 2.335 0 N-CA-C 115.827 1.788 . . . . 99.989999999999995 115.827 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 58.2 mt -131.03 137.03 48.99 Favored 'General case' 0 CA--C 1.595 2.685 0 C-N-CA 125.325 1.45 . . . . 99.989999999999995 111.135 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -154.88 -86.11 0.06 Allowed 'General case' 1 CA--C 1.631 4.09 0 O-C-N 119.102 -2.249 . . . . 99.989999999999995 116.823 -140.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.461 ' H ' ' N ' ' B' ' 126' ' ' SER . . . -161.31 50.94 0.24 Allowed 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 125.588 5.403 . . . . 99.989999999999995 125.588 160.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . 0.514 ' H ' HG22 ' B' ' 125' ' ' ILE 0.508 0.0 OUTLIER -142.06 -89.86 0.14 Allowed 'General case' 0 N--CA 1.53 3.536 0 CA-C-N 123.247 2.749 . . . . 99.989999999999995 112.087 159.587 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.31 -35.37 0.33 Allowed Glycine 2 N--CA 1.526 4.692 1 N-CA-C 125.03 4.772 . . . . 99.989999999999995 125.03 -176.016 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' B' ' 123' ' ' ALA . . . -131.9 -121.4 2.26 Favored Glycine 1 CA--C 1.579 4.039 0 CA-C-N 121.899 2.85 . . . . 99.989999999999995 117.715 172.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 12.7 t -132.23 154.05 50.0 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-N 123.347 3.573 . . . . 99.989999999999995 117.219 -171.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' MET . . . . . 0.843 ' HE2' ' O40' ' B' 2402 ' ' BLM . 9.4 ttp -143.74 144.18 31.72 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.889 -1.132 . . . . 99.989999999999995 113.848 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.79 -177.91 3.69 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 114.564 1.32 . . . . 99.989999999999995 114.564 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.99 150.59 52.11 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.843 1.794 . . . . 99.989999999999995 115.843 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.6 tp -140.51 127.65 20.94 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.559 1.143 . . . . 99.989999999999995 110.849 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.87 138.08 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 C-N-CA 124.108 0.963 . . . . 99.989999999999995 109.115 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -94.98 -175.99 0.52 Allowed Pre-proline 0 CA--C 1.592 2.56 0 N-CA-C 115.495 1.665 . . . . 99.989999999999995 115.495 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.71 -29.67 90.19 Favored 'Trans proline' 0 CA--C 1.573 2.462 0 N-CA-C 119.389 2.803 . . . . 99.989999999999995 119.389 166.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.05 -34.94 64.26 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 116.028 1.862 . . . . 99.989999999999995 116.028 173.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.78 52.26 1.04 Allowed Glycine 0 N--CA 1.489 2.189 0 O-C-N 120.759 -1.213 . . . . 99.989999999999995 115.128 -166.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -113.32 121.33 44.07 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.588 -0.893 . . . . 99.989999999999995 108.588 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -92.37 92.26 8.05 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.348 -1.47 . . . . 99.989999999999995 113.039 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.99 113.4 24.48 Favored 'General case' 0 CA--C 1.569 1.69 0 O-C-N 120.944 -1.097 . . . . 99.989999999999995 111.312 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -94.03 113.87 25.94 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.4 -0.812 . . . . 99.989999999999995 109.928 -172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 58.3 mt -101.48 123.9 46.28 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 119.788 -1.82 . . . . 99.989999999999995 112.52 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . 0.362 1.1 mt -130.86 -168.68 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.127 0 O-C-N 120.94 -1.1 . . . . 99.989999999999995 112.289 -166.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -144.99 60.68 1.31 Allowed 'General case' 0 CA--C 1.616 3.501 0 N-CA-C 118.735 2.865 . . . . 99.989999999999995 118.735 -151.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . 0.281 7.3 t-20 -52.96 136.63 34.46 Favored 'General case' 0 N--CA 1.523 3.178 2 N-CA-C 129.798 6.962 . . . . 99.989999999999995 129.798 -133.443 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.515 ' N ' ' H ' ' B' ' 122' ' ' LEU 0.433 0.7 OUTLIER -18.81 84.12 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.354 1 N-CA-C 123.075 4.472 . . . . 99.989999999999995 123.075 -143.898 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . 0.65 0.0 OUTLIER 57.8 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.558 3 O-C-N 111.53 -6.981 . . . . 99.989999999999995 126.054 -34.675 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.515 ' H ' ' N ' ' B' ' 120' ' ' GLU 0.271 77.7 mt -41.58 -48.59 4.04 Favored 'General case' 0 N--CA 1.509 2.515 0 CA-C-N 124.392 3.269 . . . . 99.989999999999995 112.72 178.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' B' ' 101' ' ' GLY . . . -29.3 4.76 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 1 N-CA-C 125.426 5.343 . . . . 99.989999999999995 125.426 -141.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 43.49 75.86 0.14 Allowed Glycine 0 N--CA 1.477 1.372 0 N-CA-C 117.983 1.953 . . . . 99.989999999999995 117.983 146.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . 0.514 HG22 ' H ' ' B' ' 99' ' ' TRP 0.493 17.4 mt -57.9 131.03 21.67 Favored 'Isoleucine or valine' 1 CA--C 1.636 4.279 0 N-CA-C 105.526 -2.027 . . . . 99.989999999999995 105.526 -171.798 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' SER . . . . . 0.461 ' N ' ' H ' ' B' ' 98' ' ' GLU . 82.6 p . . . . . 0 N--CA 1.522 3.169 1 O-C-N 115.597 -4.439 . . . . 99.989999999999995 115.467 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.425 0.631 . . . . 99.989999999999995 111.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -63.22 139.28 58.75 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 123.703 0.801 . . . . 99.989999999999995 112.275 162.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.33 130.99 11.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 119.9 -1.75 . . . . 99.989999999999995 114.815 -163.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.39 118.96 32.41 Favored 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 123.627 0.771 . . . . 99.989999999999995 111.884 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p -103.94 143.7 27.19 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 114.686 1.365 . . . . 99.989999999999995 114.686 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.05 121.4 5.35 Favored 'Trans proline' 0 CA--C 1.57 2.29 0 C-N-CA 122.518 2.146 . . . . 99.989999999999995 114.366 166.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.442 ' ND2' ' S43' ' B' 2402 ' ' BLM . 7.0 m120 -95.9 119.42 34.37 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.783 0.801 . . . . 99.989999999999995 111.232 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -129.35 159.53 68.74 Favored Pre-proline 0 CA--C 1.584 2.256 0 C-N-CA 123.603 0.761 . . . . 99.989999999999995 112.427 -159.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -90.34 136.93 2.42 Favored 'Trans proline' 0 CA--C 1.57 2.31 0 C-N-CA 122.783 2.322 . . . . 99.989999999999995 115.07 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -131.35 119.09 21.2 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.488 -0.757 . . . . 99.989999999999995 111.585 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -73.79 -60.25 2.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.457 1.28 . . . . 99.989999999999995 114.457 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -113.23 140.97 47.51 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 124.107 0.963 . . . . 99.989999999999995 109.562 164.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.0 -49.93 32.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 117.014 2.227 . . . . 99.989999999999995 117.014 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -59.74 -39.53 85.06 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.998 1.726 . . . . 99.989999999999995 115.051 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m -54.18 -52.75 60.21 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 116.87 2.174 . . . . 99.989999999999995 116.87 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -68.53 -51.19 45.67 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 119.609 1.095 . . . . 99.989999999999995 113.605 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.16 77.99 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 117.903 2.557 . . . . 99.989999999999995 117.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.04 68.85 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 117.861 2.541 . . . . 99.989999999999995 117.861 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.1 -50.87 69.82 Favored 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 115.929 1.826 . . . . 99.989999999999995 115.929 164.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -72.57 -36.98 68.31 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.52 2.045 . . . . 99.989999999999995 116.52 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -68.37 -27.9 66.64 Favored 'General case' 0 CA--C 1.584 2.252 0 N-CA-C 115.983 1.846 . . . . 99.989999999999995 115.983 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -53.79 -42.72 68.61 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 119.638 -1.914 . . . . 99.989999999999995 116.014 153.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.02 29.29 0.34 Allowed 'General case' 0 CA--C 1.583 2.229 0 N-CA-C 116.575 2.065 . . . . 99.989999999999995 116.575 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.6 -8.46 34.54 Favored Glycine 0 N--CA 1.497 2.704 0 N-CA-C 120.655 3.022 . . . . 99.989999999999995 120.655 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -87.44 85.85 7.17 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.123 1.962 . . . . 99.989999999999995 112.111 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.42 152.56 51.94 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 116.633 1.413 . . . . 99.989999999999995 116.633 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mt -78.9 85.11 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 122.385 1.088 . . . . 99.989999999999995 110.111 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.53 -37.14 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 115.318 1.599 . . . . 99.989999999999995 115.318 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' PHE . . . . . 1.649 ' CG ' H501 ' B' 2402 ' ' BLM . 1.4 t80 -135.67 140.09 44.22 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.677 1.191 . . . . 99.989999999999995 108.587 173.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -152.8 125.57 8.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.537 -0.727 . . . . 99.989999999999995 110.547 170.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . 0.821 ' OD2' H521 ' B' 2402 ' ' BLM 0.281 54.0 p30 -118.33 -88.73 0.61 Allowed 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 121.557 0.694 . . . . 99.989999999999995 111.819 171.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.17 -41.0 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 126.219 1.807 . . . . 99.989999999999995 112.566 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.57 -27.33 39.39 Favored Glycine 0 CA--C 1.553 2.453 0 N-CA-C 118.807 2.283 . . . . 99.989999999999995 118.807 166.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' TRP . . . . . 0.465 ' CZ3' ' NM ' ' B' 2402 ' ' BLM . 25.9 t-105 -135.06 146.78 49.27 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 119.67 1.735 . . . . 99.989999999999995 111.988 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' MET . . . . . . . . . . . . . 63.9 ttp -146.33 108.66 4.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.233 -1.542 . . . . 99.989999999999995 110.614 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . 0.558 ' CG1' ' C46' ' B' 2402 ' ' BLM . 60.1 mt -94.74 116.52 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.766 -1.209 . . . . 99.989999999999995 109.011 -176.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 76.4 mt -110.07 111.25 22.51 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 124.192 0.997 . . . . 99.989999999999995 108.558 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -131.6 116.03 16.85 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.737 -1.227 . . . . 99.989999999999995 113.814 -163.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -91.54 81.11 5.36 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.929 -1.107 . . . . 99.989999999999995 110.963 171.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.08 -103.14 1.09 Allowed Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.395 -0.815 . . . . 99.989999999999995 114.655 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.81 -24.01 36.15 Favored 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 115.624 1.713 . . . . 99.989999999999995 115.624 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.14 83.42 1.81 Allowed 'General case' 0 CA--C 1.574 1.89 0 O-C-N 119.949 -1.72 . . . . 99.989999999999995 114.248 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' MET . . . . . . . . . . . . . 35.8 ttm -82.45 122.13 27.63 Favored 'General case' 0 CA--C 1.572 1.823 0 O-C-N 120.671 -1.268 . . . . 99.989999999999995 113.146 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.22 115.99 25.34 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.388 0.675 . . . . 99.989999999999995 110.148 172.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.438 ' HB3' ' C44' ' B' 2402 ' ' BLM . 26.0 mt-10 -96.57 102.02 13.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.474 -0.766 . . . . 99.989999999999995 111.75 -175.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -97.69 107.23 19.68 Favored 'General case' 0 CA--C 1.565 1.527 0 O-C-N 120.814 -1.179 . . . . 99.989999999999995 112.065 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -85.86 148.17 25.93 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 113.724 1.009 . . . . 99.989999999999995 113.724 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.12 103.77 1.28 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 114.283 1.216 . . . . 99.989999999999995 114.283 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.17 72.84 81.97 Favored Pre-proline 0 CA--C 1.578 2.021 0 C-N-CA 123.373 0.669 . . . . 99.989999999999995 111.439 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.96 -21.85 36.66 Favored 'Trans proline' 0 CA--C 1.571 2.342 0 N-CA-C 118.217 2.353 . . . . 99.989999999999995 118.217 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.08 66.66 3.83 Favored Glycine 0 N--CA 1.494 2.563 0 CA-C-N 119.75 1.159 . . . . 99.989999999999995 115.42 165.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.96 127.91 44.13 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.251 1.02 . . . . 99.989999999999995 109.713 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.88 115.16 63.25 Favored Pre-proline 0 CA--C 1.584 2.279 0 CA-C-O 118.332 -0.842 . . . . 99.989999999999995 109.855 159.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -54.7 -26.11 45.32 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.033 3.051 . . . . 99.989999999999995 120.033 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -70.12 -47.67 60.76 Favored 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.529 1.307 . . . . 99.989999999999995 114.529 168.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.18 12.44 1.87 Allowed 'General case' 0 CA--C 1.582 2.21 0 N-CA-C 118.953 2.946 . . . . 99.989999999999995 118.953 169.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -79.09 88.89 4.81 Favored 'General case' 0 CA--C 1.571 1.752 0 O-C-N 120.175 -1.578 . . . . 99.989999999999995 114.287 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -80.2 68.14 6.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.841 -1.162 . . . . 99.989999999999995 113.951 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.26 95.0 3.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 99.989999999999995 108.809 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 23.9 p -110.8 151.93 27.23 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.985 0.898 . . . . 99.989999999999995 113.276 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -154.7 130.54 10.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 99.989999999999995 111.247 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' CYS . . . . . 0.401 ' SG ' ' S43' ' B' 3402 ' ' BLM . 37.3 m -84.34 131.56 34.69 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 120.236 -1.54 . . . . 99.989999999999995 113.413 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.66 106.54 18.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 99.989999999999995 108.896 164.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . 1.161 ' NH2' ' S46' ' B' 3402 ' ' BLM . 71.5 mtt-85 -87.7 88.42 7.66 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.164 0.801 . . . . 99.989999999999995 113.164 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 18.9 mt -96.31 127.16 42.05 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 123.902 0.881 . . . . 99.989999999999995 111.219 -172.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . 0.34 69.5 m-20 -71.87 -19.52 61.94 Favored 'General case' 0 CA--C 1.622 3.712 0 N-CA-C 114.947 1.462 . . . . 99.989999999999995 114.947 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.62 131.91 56.19 Favored 'General case' 0 N--CA 1.523 3.21 0 CA-C-N 123.301 2.773 . . . . 99.989999999999995 109.588 145.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.6 tp -84.32 -18.25 36.9 Favored 'General case' 0 CA--C 1.581 2.167 0 N-CA-C 117.504 2.409 . . . . 99.989999999999995 117.504 166.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.87 94.76 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 117.697 2.48 . . . . 99.989999999999995 117.697 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.45 -66.18 0.43 Allowed 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.297 1.862 . . . . 99.989999999999995 114.467 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.05 -32.99 72.61 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 117.129 2.27 . . . . 99.989999999999995 117.129 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -70.4 -44.11 68.66 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.763 1.764 . . . . 99.989999999999995 115.763 168.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 -57.56 -41.04 80.26 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 116.159 1.911 . . . . 99.989999999999995 116.159 163.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.55 -54.27 29.22 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 115.023 1.49 . . . . 99.989999999999995 115.023 164.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.71 -49.49 65.26 Favored 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 117.385 2.365 . . . . 99.989999999999995 117.385 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -62.89 -40.73 98.44 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.751 1.76 . . . . 99.989999999999995 115.751 171.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' SER . . . . . . . . . . . . . 89.9 p -75.23 -39.34 60.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 118.082 2.623 . . . . 99.989999999999995 118.082 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.86 -37.08 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.513 0 CA-C-N 121.413 1.915 . . . . 99.989999999999995 115.632 173.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.67 64.14 0.07 OUTLIER Glycine 0 N--CA 1.489 2.22 0 C-N-CA 123.771 0.7 . . . . 99.989999999999995 114.588 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' ILE . . . . . . . . . . . . . 45.1 mt -136.35 118.1 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 106.223 -1.769 . . . . 99.989999999999995 106.223 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -80.42 136.3 36.32 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 115.596 1.702 . . . . 99.989999999999995 115.596 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -80.94 103.73 10.96 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 121.79 0.805 . . . . 99.989999999999995 110.715 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -149.58 134.95 18.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.126 -0.984 . . . . 99.989999999999995 112.092 -165.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 98.0 p -64.03 -46.15 85.75 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.301 1.963 . . . . 99.989999999999995 116.301 165.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -102.42 124.98 48.96 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 118.815 0.734 . . . . 99.989999999999995 111.589 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.71 159.14 8.62 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 115.23 0.852 . . . . 99.989999999999995 115.23 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -150.79 116.45 3.3 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 121.393 -1.063 . . . . 99.989999999999995 109.522 164.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.92 148.36 91.79 Favored 'Cis proline' 0 CA--C 1.572 2.383 0 CA-C-N 123.273 2.205 . . . . 99.989999999999995 117.114 7.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ptt-85 -141.94 153.11 44.11 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.56 0.744 . . . . 99.989999999999995 112.958 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 25.4 pt -128.07 149.13 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.382 -0.824 . . . . 99.989999999999995 111.579 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -129.9 141.8 50.75 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.05 -1.031 . . . . 99.989999999999995 110.65 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.19 161.51 56.01 Favored Pre-proline 0 CA--C 1.584 2.262 0 N-CA-C 119.006 2.965 . . . . 99.989999999999995 119.006 -164.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -62.88 91.82 0.14 Allowed 'Trans proline' 0 CA--C 1.57 2.319 0 C-N-CA 122.865 2.377 . . . . 99.989999999999995 117.155 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.79 150.12 20.53 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.656 0.741 . . . . 99.989999999999995 112.318 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -74.18 139.16 44.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.648 -1.282 . . . . 99.989999999999995 113.456 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -117.47 144.48 44.98 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.606 0.965 . . . . 99.989999999999995 113.606 -162.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . . . -82.04 60.48 4.87 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 116.936 2.198 . . . . 99.989999999999995 116.936 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' TRP . . . . . . . . . . . . . 22.2 p-90 -168.61 -57.8 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.766 1.226 . . . . 99.989999999999995 110.421 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.09 -86.56 0.07 OUTLIER Glycine 0 N--CA 1.484 1.86 0 O-C-N 121.629 -0.669 . . . . 99.989999999999995 113.496 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . -114.0 -98.22 2.27 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 115.682 1.033 . . . . 99.989999999999995 115.682 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 9.2 t -150.48 141.93 23.41 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.99 -0.712 . . . . 99.989999999999995 112.54 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' MET . . . . . 0.959 ' HE2' ' O40' ' B' 3402 ' ' BLM . 41.9 ttp -135.62 125.98 26.61 Favored 'General case' 0 CA--C 1.568 1.662 0 O-C-N 121.274 -0.891 . . . . 99.989999999999995 111.634 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.92 170.72 8.33 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 113.576 0.954 . . . . 99.989999999999995 113.576 168.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.06 146.8 40.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.149 -1.594 . . . . 99.989999999999995 114.112 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -136.8 117.09 13.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.892 0.877 . . . . 99.989999999999995 109.846 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -111.38 136.17 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 123.813 0.845 . . . . 99.989999999999995 108.737 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.78 -175.55 0.49 Allowed Pre-proline 0 CA--C 1.59 2.511 0 N-CA-C 115.241 1.571 . . . . 99.989999999999995 115.241 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -58.35 -29.64 88.74 Favored 'Trans proline' 0 CA--C 1.573 2.464 0 N-CA-C 119.309 2.773 . . . . 99.989999999999995 119.309 166.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -74.21 -34.77 63.81 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.1 1.889 . . . . 99.989999999999995 116.1 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.24 51.53 1.14 Allowed Glycine 0 N--CA 1.488 2.147 0 O-C-N 120.716 -1.24 . . . . 99.989999999999995 115.25 -165.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' THR . . . . . . . . . . . . . 5.0 m -112.03 119.96 40.25 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.483 -0.932 . . . . 99.989999999999995 108.483 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tp -90.06 89.88 7.89 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 120.435 -1.415 . . . . 99.989999999999995 112.918 -171.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 mp -85.1 110.39 18.93 Favored 'General case' 0 CA--C 1.568 1.649 0 O-C-N 120.869 -1.144 . . . . 99.989999999999995 110.822 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -89.92 106.1 18.25 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 121.475 0.655 . . . . 99.989999999999995 109.7 -174.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 50.1 mt -89.49 94.0 9.71 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 120.156 -1.59 . . . . 99.989999999999995 111.134 -166.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -89.25 133.31 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.18 -0.95 . . . . 99.989999999999995 110.763 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.97 115.07 20.97 Favored 'General case' 0 CA--C 1.566 1.591 0 O-C-N 121.653 -0.654 . . . . 99.989999999999995 110.889 156.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.34 149.2 46.29 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 115.02 1.489 . . . . 99.989999999999995 115.02 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -107.08 -160.53 0.74 Allowed 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 114.271 1.211 . . . . 99.989999999999995 114.271 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.43 -39.57 92.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 119.355 -2.091 . . . . 99.989999999999995 116.304 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.3 70.22 9.2 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.494 1.043 . . . . 99.989999999999995 111.916 167.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.02 77.9 4.52 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 122.777 1.275 . . . . 99.989999999999995 111.54 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' GLY . . . . . . . . . . . . . . . -78.57 84.97 1.17 Allowed Glycine 0 N--CA 1.483 1.776 0 CA-C-N 115.614 -0.721 . . . . 99.989999999999995 113.053 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.65 109.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.137 0.575 . . . . 99.989999999999995 110.238 -176.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.557 1.236 0 CA-C-O 124.649 2.166 . . . . 99.989999999999995 111.157 177.182 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' ' CU' . . . . . 0.723 'CU ' ' NH ' ' B' 2402 ' ' BLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1402 ' ' ' CU' . . . . . 0.716 'CU ' ' NH ' ' B' 3402 ' ' BLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2402 ' ' BLM . . . . . 1.649 H501 ' CG ' ' C' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 3402 ' ' BLM . . . . . 1.572 H501 ' CG ' ' B' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.2 120.84 15.65 Favored 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 124.233 1.013 . . . . 0.0 111.798 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -131.95 131.53 42.71 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -160.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.11 120.29 35.07 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.761 0.825 . . . . 0.0 111.849 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -102.89 142.38 24.43 Favored Pre-proline 0 N--CA 1.5 2.067 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.02 121.7 5.48 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 C-N-CA 122.452 2.101 . . . . 0.0 114.194 167.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.36 118.43 32.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.799 0.809 . . . . 0.0 111.268 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -128.58 159.58 67.12 Favored Pre-proline 0 CA--C 1.584 2.253 0 C-N-CA 123.421 0.689 . . . . 0.0 112.51 -159.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -89.99 136.98 2.61 Favored 'Trans proline' 0 CA--C 1.571 2.343 0 C-N-CA 122.733 2.289 . . . . 0.0 115.007 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -131.58 118.8 20.58 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.525 -0.735 . . . . 0.0 111.537 172.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -73.58 -60.28 2.32 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -113.2 141.19 47.24 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 124.096 0.958 . . . . 0.0 109.561 164.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -72.2 -49.9 31.84 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.65 -39.6 84.94 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 121.021 1.737 . . . . 0.0 114.98 166.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.3 m -54.34 -52.84 60.32 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 170.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -68.4 -51.22 46.4 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 119.575 1.08 . . . . 0.0 113.549 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.04 78.75 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.46 69.85 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.828 2.529 . . . . 0.0 117.828 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -55.57 -51.31 67.52 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 163.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -71.66 -38.02 70.72 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.99 -28.16 67.2 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 172.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -53.97 -44.1 70.47 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 119.594 -1.942 . . . . 0.0 115.853 153.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.29 29.37 0.18 Allowed 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 170.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 -9.08 27.52 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 120.831 3.093 . . . . 0.0 120.831 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -85.21 85.92 7.42 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 120.235 2.017 . . . . 0.0 112.472 -172.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.39 150.31 50.73 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mt -79.2 84.9 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 CA-C-O 122.241 1.02 . . . . 0.0 109.998 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.52 -36.78 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 1.557 ' CG ' H502 ' B' 3402 ' ' BLM . 1.8 t80 -136.52 140.06 42.71 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 124.864 1.266 . . . . 0.0 108.573 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -153.26 124.3 7.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.547 -0.72 . . . . 0.0 110.385 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.666 ' OD2' H521 ' B' 3402 ' ' BLM 0.278 54.6 p30 -115.39 -89.05 0.57 Allowed 'General case' 0 CA--C 1.575 1.934 0 CA-C-O 121.644 0.735 . . . . 0.0 111.821 172.184 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.22 -40.09 0.05 Allowed 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 126.496 1.919 . . . . 0.0 112.364 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.95 -25.83 39.66 Favored Glycine 0 CA--C 1.553 2.461 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 166.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 1.048 ' CZ2' ' C44' ' B' 3402 ' ' BLM . 24.5 t-105 -135.42 146.75 48.59 Favored 'General case' 0 CA--C 1.578 2.043 0 CA-C-N 119.855 1.828 . . . . 0.0 111.946 -173.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' MET . . . . . . . . . . . . . 63.9 ttp -146.92 108.63 4.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.272 -1.517 . . . . 0.0 110.662 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.598 ' CG1' ' C46' ' B' 3402 ' ' BLM . 58.3 mt -94.54 115.39 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.749 -1.219 . . . . 0.0 109.019 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.5 114.11 27.46 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.345 1.058 . . . . 0.0 108.818 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -134.54 106.95 7.26 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.614 -1.304 . . . . 0.0 113.676 -159.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -91.36 88.76 6.98 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.704 -1.247 . . . . 0.0 111.065 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.5 -99.73 0.27 Allowed Glycine 0 N--CA 1.496 2.666 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.72 -10.24 55.92 Favored 'General case' 0 CA--C 1.587 2.4 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 171.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.49 94.78 7.22 Favored 'General case' 0 CA--C 1.573 1.84 0 O-C-N 119.565 -1.959 . . . . 0.0 113.67 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.5 ttm -84.9 124.42 31.61 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.404 -1.435 . . . . 0.0 113.854 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.28 118.09 27.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.259 -0.901 . . . . 0.0 110.695 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.14 104.6 16.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 111.647 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -99.52 109.68 22.2 Favored 'General case' 0 CA--C 1.565 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 112.149 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -87.14 148.31 25.25 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.2 104.52 1.48 Allowed 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.57 72.86 81.89 Favored Pre-proline 0 CA--C 1.578 2.056 0 C-N-CA 123.331 0.652 . . . . 0.0 111.444 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.89 -21.99 36.92 Favored 'Trans proline' 0 CA--C 1.57 2.299 0 N-CA-C 118.243 2.363 . . . . 0.0 118.243 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 66.71 3.81 Favored Glycine 0 N--CA 1.494 2.507 0 CA-C-N 119.773 1.169 . . . . 0.0 115.43 165.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 tp -128.01 127.95 44.13 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.225 1.01 . . . . 0.0 109.693 -175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.92 115.16 63.27 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.816 159.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.71 -26.02 44.97 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 76.2 mt -70.16 -47.63 60.82 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 168.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.23 12.49 1.87 Allowed 'General case' 0 CA--C 1.583 2.239 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 40.9 t -79.23 89.13 4.89 Favored 'General case' 0 CA--C 1.571 1.774 0 O-C-N 120.194 -1.566 . . . . 0.0 114.307 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -80.4 68.29 6.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.861 -1.15 . . . . 0.0 113.987 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.65 96.9 3.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 0.0 108.979 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -113.53 152.55 30.07 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -156.05 130.56 8.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.277 -0.889 . . . . 0.0 111.67 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 39.1 m -84.6 133.59 34.42 Favored 'General case' 0 CA--C 1.568 1.648 0 O-C-N 120.061 -1.649 . . . . 0.0 113.895 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.54 107.42 19.59 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.313 -0.867 . . . . 0.0 109.585 167.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 1.135 ' NH2' ' S46' ' B' 2402 ' ' BLM . 38.0 mtt180 -91.9 74.54 5.65 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -171.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 9.2 mt -88.77 129.71 35.5 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -164.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . 0.427 1.3 m-20 -58.36 -28.39 65.08 Favored 'General case' 0 CA--C 1.624 3.819 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.18 141.34 48.27 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 123.586 2.903 . . . . 0.0 110.563 149.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.0 tp -87.25 -26.8 23.3 Favored 'General case' 0 CA--C 1.576 1.98 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 165.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.16 97.38 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.16 -67.97 0.22 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.151 1.796 . . . . 0.0 114.756 168.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.69 -33.42 75.04 Favored 'General case' 0 CA--C 1.578 2.027 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -69.53 -43.7 72.47 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 169.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -58.31 -40.75 82.84 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 163.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -51.52 -54.02 31.59 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.005 1.484 . . . . 0.0 115.005 165.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 69.6 m -52.73 -49.63 65.05 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -62.97 -40.55 98.04 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -75.34 -39.37 59.43 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 118.078 2.622 . . . . 0.0 118.078 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.97 -37.1 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 CA-C-N 121.511 1.959 . . . . 0.0 115.638 173.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.63 64.19 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 C-N-CA 123.776 0.703 . . . . 0.0 114.591 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.4 mt -136.17 118.0 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -80.32 136.16 36.36 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -80.8 103.42 10.63 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 121.869 0.842 . . . . 0.0 110.618 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -149.06 135.53 19.42 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.134 -0.979 . . . . 0.0 112.023 -165.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 97.5 p -64.61 -46.06 84.25 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -102.5 124.92 48.92 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 121.512 -0.742 . . . . 0.0 111.533 170.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.34 158.83 8.41 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 115.179 0.832 . . . . 0.0 115.179 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.38 116.35 3.4 Favored Pre-proline 0 CA--C 1.577 1.998 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.388 165.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.03 149.88 94.71 Favored 'Cis proline' 0 CA--C 1.573 2.43 0 CA-C-N 123.252 2.197 . . . . 0.0 117.341 7.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -143.37 155.55 44.45 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 pt -131.26 148.76 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.071 -1.018 . . . . 0.0 111.564 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -131.97 143.91 50.44 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.13 -0.981 . . . . 0.0 111.244 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.06 165.29 54.04 Favored Pre-proline 0 CA--C 1.588 2.42 0 N-CA-C 119.142 3.016 . . . . 0.0 119.142 -162.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.51 114.72 3.01 Favored 'Trans proline' 0 CA--C 1.578 2.697 0 C-N-CA 122.813 2.342 . . . . 0.0 117.861 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -120.85 177.77 4.97 Favored 'General case' 0 CA--C 1.586 2.335 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 58.2 mt -131.03 137.03 48.99 Favored 'General case' 0 CA--C 1.595 2.685 0 C-N-CA 125.325 1.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.522 ' C ' HG22 ' B' ' 125' ' ' ILE . 19.2 mt-30 -154.88 -86.11 0.06 Allowed 'General case' 1 CA--C 1.631 4.09 0 O-C-N 119.102 -2.249 . . . . 0.0 116.823 -140.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.646 ' N ' HG22 ' B' ' 125' ' ' ILE . . . -161.31 50.94 0.24 Allowed 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 125.588 5.403 . . . . 0.0 125.588 160.043 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' TRP . . . . . 0.876 ' H ' ' HA ' ' B' ' 125' ' ' ILE 0.508 0.0 OUTLIER -142.06 -89.86 0.14 Allowed 'General case' 0 N--CA 1.53 3.536 0 CA-C-N 123.247 2.749 . . . . 0.0 112.087 159.587 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.31 -35.37 0.33 Allowed Glycine 2 N--CA 1.526 4.692 1 N-CA-C 125.03 4.772 . . . . 0.0 125.03 -176.016 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' B' ' 123' ' ' ALA . . . -131.9 -121.4 2.26 Favored Glycine 1 CA--C 1.579 4.039 0 CA-C-N 121.899 2.85 . . . . 0.0 117.715 172.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 12.7 t -132.23 154.05 50.0 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-N 123.347 3.573 . . . . 0.0 117.219 -171.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 9.4 ttp -143.74 144.18 31.72 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.889 -1.132 . . . . 0.0 113.848 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.79 -177.91 3.69 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.99 150.59 52.11 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.6 tp -140.51 127.65 20.94 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.559 1.143 . . . . 0.0 110.849 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.87 138.08 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 C-N-CA 124.108 0.963 . . . . 0.0 109.115 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -94.98 -175.99 0.52 Allowed Pre-proline 0 CA--C 1.592 2.56 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.71 -29.67 90.19 Favored 'Trans proline' 0 CA--C 1.573 2.462 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 166.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.05 -34.94 64.26 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 173.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.78 52.26 1.04 Allowed Glycine 0 N--CA 1.489 2.189 0 O-C-N 120.759 -1.213 . . . . 0.0 115.128 -166.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -113.32 121.33 44.07 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -92.37 92.26 8.05 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.348 -1.47 . . . . 0.0 113.039 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.99 113.4 24.48 Favored 'General case' 0 CA--C 1.569 1.69 0 O-C-N 120.944 -1.097 . . . . 0.0 111.312 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -94.03 113.87 25.94 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.4 -0.812 . . . . 0.0 109.928 -172.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 58.3 mt -101.48 123.9 46.28 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 119.788 -1.82 . . . . 0.0 112.52 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . 0.362 1.1 mt -130.86 -168.68 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.127 0 O-C-N 120.94 -1.1 . . . . 0.0 112.289 -166.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -144.99 60.68 1.31 Allowed 'General case' 0 CA--C 1.616 3.501 0 N-CA-C 118.735 2.865 . . . . 0.0 118.735 -151.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . 0.281 7.3 t-20 -52.96 136.63 34.46 Favored 'General case' 0 N--CA 1.523 3.178 2 N-CA-C 129.798 6.962 . . . . 0.0 129.798 -133.443 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.57 ' HA ' ' H ' ' B' ' 122' ' ' LEU 0.433 0.7 OUTLIER -18.81 84.12 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.354 1 N-CA-C 123.075 4.472 . . . . 0.0 123.075 -143.898 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . 0.65 0.0 OUTLIER 57.8 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.558 3 O-C-N 111.53 -6.981 . . . . 0.0 126.054 -34.675 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.57 ' H ' ' HA ' ' B' ' 120' ' ' GLU 0.271 77.7 mt -41.58 -48.59 4.04 Favored 'General case' 0 N--CA 1.509 2.515 0 CA-C-N 124.392 3.269 . . . . 0.0 112.72 178.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' B' ' 101' ' ' GLY . . . -29.3 4.76 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 1 N-CA-C 125.426 5.343 . . . . 0.0 125.426 -141.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 43.49 75.86 0.14 Allowed Glycine 0 N--CA 1.477 1.372 0 N-CA-C 117.983 1.953 . . . . 0.0 117.983 146.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ILE . . . . . 0.876 ' HA ' ' H ' ' B' ' 99' ' ' TRP 0.493 17.4 mt -57.9 131.03 21.67 Favored 'Isoleucine or valine' 1 CA--C 1.636 4.279 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 -171.798 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 126' ' ' SER . . . . . 0.528 ' N ' ' H ' ' B' ' 98' ' ' GLU . 82.6 p . . . . . 0 N--CA 1.522 3.169 1 O-C-N 115.597 -4.439 . . . . 0.0 115.467 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -63.22 139.28 58.75 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 123.703 0.801 . . . . 0.0 112.275 162.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.33 130.99 11.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 119.9 -1.75 . . . . 0.0 114.815 -163.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.39 118.96 32.41 Favored 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.884 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p -103.94 143.7 27.19 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.05 121.4 5.35 Favored 'Trans proline' 0 CA--C 1.57 2.29 0 C-N-CA 122.518 2.146 . . . . 0.0 114.366 166.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -95.9 119.42 34.37 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.783 0.801 . . . . 0.0 111.232 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -129.35 159.53 68.74 Favored Pre-proline 0 CA--C 1.584 2.256 0 C-N-CA 123.603 0.761 . . . . 0.0 112.427 -159.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -90.34 136.93 2.42 Favored 'Trans proline' 0 CA--C 1.57 2.31 0 C-N-CA 122.783 2.322 . . . . 0.0 115.07 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -131.35 119.09 21.2 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.488 -0.757 . . . . 0.0 111.585 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -73.79 -60.25 2.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -113.23 140.97 47.51 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 124.107 0.963 . . . . 0.0 109.562 164.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.0 -49.93 32.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -59.74 -39.53 85.06 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.998 1.726 . . . . 0.0 115.051 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m -54.18 -52.75 60.21 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -68.53 -51.19 45.67 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 119.609 1.095 . . . . 0.0 113.605 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.16 77.99 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.04 68.85 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.1 -50.87 69.82 Favored 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 164.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -72.57 -36.98 68.31 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -68.37 -27.9 66.64 Favored 'General case' 0 CA--C 1.584 2.252 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -53.79 -42.72 68.61 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 119.638 -1.914 . . . . 0.0 116.014 153.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.02 29.29 0.34 Allowed 'General case' 0 CA--C 1.583 2.229 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.6 -8.46 34.54 Favored Glycine 0 N--CA 1.497 2.704 0 N-CA-C 120.655 3.022 . . . . 0.0 120.655 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -87.44 85.85 7.17 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.123 1.962 . . . . 0.0 112.111 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.42 152.56 51.94 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mt -78.9 85.11 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 122.385 1.088 . . . . 0.0 110.111 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.53 -37.14 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' PHE . . . . . 1.656 ' CG ' H502 ' B' 2402 ' ' BLM . 1.4 t80 -135.67 140.09 44.22 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.677 1.191 . . . . 0.0 108.587 173.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -152.8 125.57 8.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.537 -0.727 . . . . 0.0 110.547 170.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ASP . . . . . 0.807 ' OD2' H521 ' B' 2402 ' ' BLM 0.281 54.0 p30 -118.33 -88.73 0.61 Allowed 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 121.557 0.694 . . . . 0.0 111.819 171.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.17 -41.0 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 126.219 1.807 . . . . 0.0 112.566 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.57 -27.33 39.39 Favored Glycine 0 CA--C 1.553 2.453 0 N-CA-C 118.807 2.283 . . . . 0.0 118.807 166.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' TRP . . . . . 0.465 ' CZ3' ' NM ' ' B' 2402 ' ' BLM . 25.9 t-105 -135.06 146.78 49.27 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 119.67 1.735 . . . . 0.0 111.988 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' MET . . . . . . . . . . . . . 63.9 ttp -146.33 108.66 4.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.233 -1.542 . . . . 0.0 110.614 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ILE . . . . . 0.558 ' CG1' ' C46' ' B' 2402 ' ' BLM . 60.1 mt -94.74 116.52 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.766 -1.209 . . . . 0.0 109.011 -176.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 76.4 mt -110.07 111.25 22.51 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 124.192 0.997 . . . . 0.0 108.558 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -131.6 116.03 16.85 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.737 -1.227 . . . . 0.0 113.814 -163.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -91.54 81.11 5.36 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.929 -1.107 . . . . 0.0 110.963 171.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.08 -103.14 1.09 Allowed Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.395 -0.815 . . . . 0.0 114.655 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.81 -24.01 36.15 Favored 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.14 83.42 1.81 Allowed 'General case' 0 CA--C 1.574 1.89 0 O-C-N 119.949 -1.72 . . . . 0.0 114.248 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' MET . . . . . . . . . . . . . 35.8 ttm -82.45 122.13 27.63 Favored 'General case' 0 CA--C 1.572 1.823 0 O-C-N 120.671 -1.268 . . . . 0.0 113.146 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.22 115.99 25.34 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.388 0.675 . . . . 0.0 110.148 172.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.442 ' HB3' ' C44' ' B' 2402 ' ' BLM . 26.0 mt-10 -96.57 102.02 13.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.474 -0.766 . . . . 0.0 111.75 -175.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -97.69 107.23 19.68 Favored 'General case' 0 CA--C 1.565 1.527 0 O-C-N 120.814 -1.179 . . . . 0.0 112.065 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -85.86 148.17 25.93 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.12 103.77 1.28 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.17 72.84 81.97 Favored Pre-proline 0 CA--C 1.578 2.021 0 C-N-CA 123.373 0.669 . . . . 0.0 111.439 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.96 -21.85 36.66 Favored 'Trans proline' 0 CA--C 1.571 2.342 0 N-CA-C 118.217 2.353 . . . . 0.0 118.217 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.08 66.66 3.83 Favored Glycine 0 N--CA 1.494 2.563 0 CA-C-N 119.75 1.159 . . . . 0.0 115.42 165.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.96 127.91 44.13 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.251 1.02 . . . . 0.0 109.713 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.88 115.16 63.25 Favored Pre-proline 0 CA--C 1.584 2.279 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.855 159.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -54.7 -26.11 45.32 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.033 3.051 . . . . 0.0 120.033 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -70.12 -47.67 60.76 Favored 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.18 12.44 1.87 Allowed 'General case' 0 CA--C 1.582 2.21 0 N-CA-C 118.953 2.946 . . . . 0.0 118.953 169.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -79.09 88.89 4.81 Favored 'General case' 0 CA--C 1.571 1.752 0 O-C-N 120.175 -1.578 . . . . 0.0 114.287 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -80.2 68.14 6.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.841 -1.162 . . . . 0.0 113.951 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.26 95.0 3.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 108.809 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 23.9 p -110.8 151.93 27.23 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.985 0.898 . . . . 0.0 113.276 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -154.7 130.54 10.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 111.247 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' CYS . . . . . 0.401 ' SG ' ' S43' ' B' 3402 ' ' BLM . 37.3 m -84.34 131.56 34.69 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 120.236 -1.54 . . . . 0.0 113.413 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.66 106.54 18.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 0.0 108.896 164.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ARG . . . . . 1.161 ' NH2' ' S46' ' B' 3402 ' ' BLM . 71.5 mtt-85 -87.7 88.42 7.66 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 18.9 mt -96.31 127.16 42.05 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 123.902 0.881 . . . . 0.0 111.219 -172.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . 0.34 69.5 m-20 -71.87 -19.52 61.94 Favored 'General case' 0 CA--C 1.622 3.712 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.62 131.91 56.19 Favored 'General case' 0 N--CA 1.523 3.21 0 CA-C-N 123.301 2.773 . . . . 0.0 109.588 145.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.6 tp -84.32 -18.25 36.9 Favored 'General case' 0 CA--C 1.581 2.167 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 166.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.87 94.76 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.45 -66.18 0.43 Allowed 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.297 1.862 . . . . 0.0 114.467 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.05 -32.99 72.61 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -70.4 -44.11 68.66 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 168.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 -57.56 -41.04 80.26 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 163.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.55 -54.27 29.22 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 164.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.71 -49.49 65.26 Favored 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -62.89 -40.73 98.44 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 171.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' SER . . . . . . . . . . . . . 89.9 p -75.23 -39.34 60.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.86 -37.08 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.513 0 CA-C-N 121.413 1.915 . . . . 0.0 115.632 173.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.67 64.14 0.07 OUTLIER Glycine 0 N--CA 1.489 2.22 0 C-N-CA 123.771 0.7 . . . . 0.0 114.588 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' ILE . . . . . . . . . . . . . 45.1 mt -136.35 118.1 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -80.42 136.3 36.32 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -80.94 103.73 10.96 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 121.79 0.805 . . . . 0.0 110.715 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -149.58 134.95 18.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.126 -0.984 . . . . 0.0 112.092 -165.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 98.0 p -64.03 -46.15 85.75 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 165.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -102.42 124.98 48.96 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 118.815 0.734 . . . . 0.0 111.589 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.71 159.14 8.62 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -150.79 116.45 3.3 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 121.393 -1.063 . . . . 0.0 109.522 164.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.92 148.36 91.79 Favored 'Cis proline' 0 CA--C 1.572 2.383 0 CA-C-N 123.273 2.205 . . . . 0.0 117.114 7.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ptt-85 -141.94 153.11 44.11 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.56 0.744 . . . . 0.0 112.958 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 25.4 pt -128.07 149.13 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.382 -0.824 . . . . 0.0 111.579 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -129.9 141.8 50.75 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.05 -1.031 . . . . 0.0 110.65 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.19 161.51 56.01 Favored Pre-proline 0 CA--C 1.584 2.262 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 -164.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -62.88 91.82 0.14 Allowed 'Trans proline' 0 CA--C 1.57 2.319 0 C-N-CA 122.865 2.377 . . . . 0.0 117.155 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.79 150.12 20.53 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.656 0.741 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -74.18 139.16 44.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.648 -1.282 . . . . 0.0 113.456 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -117.47 144.48 44.98 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -162.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . . . -82.04 60.48 4.87 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 116.936 2.198 . . . . 0.0 116.936 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' TRP . . . . . . . . . . . . . 22.2 p-90 -168.61 -57.8 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.766 1.226 . . . . 0.0 110.421 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.09 -86.56 0.07 OUTLIER Glycine 0 N--CA 1.484 1.86 0 O-C-N 121.629 -0.669 . . . . 0.0 113.496 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . -114.0 -98.22 2.27 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 115.682 1.033 . . . . 0.0 115.682 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 9.2 t -150.48 141.93 23.41 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.99 -0.712 . . . . 0.0 112.54 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' MET . . . . . 0.599 ' CE ' ' O40' ' B' 3402 ' ' BLM . 41.9 ttp -135.62 125.98 26.61 Favored 'General case' 0 CA--C 1.568 1.662 0 O-C-N 121.274 -0.891 . . . . 0.0 111.634 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.92 170.72 8.33 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.06 146.8 40.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.149 -1.594 . . . . 0.0 114.112 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -136.8 117.09 13.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.892 0.877 . . . . 0.0 109.846 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -111.38 136.17 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 123.813 0.845 . . . . 0.0 108.737 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.78 -175.55 0.49 Allowed Pre-proline 0 CA--C 1.59 2.511 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -58.35 -29.64 88.74 Favored 'Trans proline' 0 CA--C 1.573 2.464 0 N-CA-C 119.309 2.773 . . . . 0.0 119.309 166.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -74.21 -34.77 63.81 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.24 51.53 1.14 Allowed Glycine 0 N--CA 1.488 2.147 0 O-C-N 120.716 -1.24 . . . . 0.0 115.25 -165.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' THR . . . . . . . . . . . . . 5.0 m -112.03 119.96 40.25 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tp -90.06 89.88 7.89 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 120.435 -1.415 . . . . 0.0 112.918 -171.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 mp -85.1 110.39 18.93 Favored 'General case' 0 CA--C 1.568 1.649 0 O-C-N 120.869 -1.144 . . . . 0.0 110.822 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -89.92 106.1 18.25 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 121.475 0.655 . . . . 0.0 109.7 -174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 50.1 mt -89.49 94.0 9.71 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 120.156 -1.59 . . . . 0.0 111.134 -166.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -89.25 133.31 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.18 -0.95 . . . . 0.0 110.763 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.97 115.07 20.97 Favored 'General case' 0 CA--C 1.566 1.591 0 O-C-N 121.653 -0.654 . . . . 0.0 110.889 156.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.34 149.2 46.29 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -107.08 -160.53 0.74 Allowed 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.43 -39.57 92.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 119.355 -2.091 . . . . 0.0 116.304 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.3 70.22 9.2 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.494 1.043 . . . . 0.0 111.916 167.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.02 77.9 4.52 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 122.777 1.275 . . . . 0.0 111.54 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' GLY . . . . . . . . . . . . . . . -78.57 84.97 1.17 Allowed Glycine 0 N--CA 1.483 1.776 0 CA-C-N 115.614 -0.721 . . . . 0.0 113.053 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.65 109.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.137 0.575 . . . . 0.0 110.238 -176.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.557 1.236 0 CA-C-O 124.649 2.166 . . . . 0.0 111.157 177.182 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 402' ' ' ' CU' . . . . . 0.723 'CU ' ' NH ' ' B' 2402 ' ' BLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1402 ' ' ' CU' . . . . . 0.716 'CU ' ' NH ' ' B' 3402 ' ' BLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2402 ' ' BLM . . . . . 1.656 H502 ' CG ' ' C' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 3402 ' ' BLM . . . . . 1.557 H502 ' CG ' ' B' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.299 0.571 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.2 120.84 15.65 Favored 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 124.233 1.013 . . . . 0.0 111.798 171.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -131.95 131.53 42.71 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -160.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.11 120.29 35.07 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.761 0.825 . . . . 0.0 111.849 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -102.89 142.38 24.43 Favored Pre-proline 0 N--CA 1.5 2.067 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -167.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.02 121.7 5.48 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 C-N-CA 122.452 2.101 . . . . 0.0 114.194 167.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.36 118.43 32.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.799 0.809 . . . . 0.0 111.268 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -128.58 159.58 67.12 Favored Pre-proline 0 CA--C 1.584 2.253 0 C-N-CA 123.421 0.689 . . . . 0.0 112.51 -159.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -89.99 136.98 2.61 Favored 'Trans proline' 0 CA--C 1.571 2.343 0 C-N-CA 122.733 2.289 . . . . 0.0 115.007 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -131.58 118.8 20.58 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.525 -0.735 . . . . 0.0 111.537 172.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -73.58 -60.28 2.32 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -113.2 141.19 47.24 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 124.096 0.958 . . . . 0.0 109.561 164.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -72.2 -49.9 31.84 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -172.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -59.65 -39.6 84.94 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 121.021 1.737 . . . . 0.0 114.98 166.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.3 m -54.34 -52.84 60.32 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 170.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -68.4 -51.22 46.4 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 119.575 1.08 . . . . 0.0 113.549 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.04 78.75 Favored 'General case' 0 CA--C 1.565 1.533 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.46 69.85 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.828 2.529 . . . . 0.0 117.828 175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -55.57 -51.31 67.52 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 163.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -71.66 -38.02 70.72 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.99 -28.16 67.2 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 172.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -53.97 -44.1 70.47 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 119.594 -1.942 . . . . 0.0 115.853 153.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 94.2 mt -78.29 29.37 0.18 Allowed 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 170.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 -9.08 27.52 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 120.831 3.093 . . . . 0.0 120.831 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -85.21 85.92 7.42 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 120.235 2.017 . . . . 0.0 112.472 -172.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.39 150.31 50.73 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 24.5 mt -79.2 84.9 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 CA-C-O 122.241 1.02 . . . . 0.0 109.998 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.52 -36.78 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 1.557 ' CG ' H502 ' B' 3402 ' ' BLM . 1.8 t80 -136.52 140.06 42.71 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 124.864 1.266 . . . . 0.0 108.573 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -153.26 124.3 7.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.547 -0.72 . . . . 0.0 110.385 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.666 ' OD2' H521 ' B' 3402 ' ' BLM 0.278 54.6 p30 -115.39 -89.05 0.57 Allowed 'General case' 0 CA--C 1.575 1.934 0 CA-C-O 121.644 0.735 . . . . 0.0 111.821 172.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.22 -40.09 0.05 Allowed 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 126.496 1.919 . . . . 0.0 112.364 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.95 -25.83 39.66 Favored Glycine 0 CA--C 1.553 2.461 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 166.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 1.048 ' CZ2' ' C44' ' B' 3402 ' ' BLM . 24.5 t-105 -135.42 146.75 48.59 Favored 'General case' 0 CA--C 1.578 2.043 0 CA-C-N 119.855 1.828 . . . . 0.0 111.946 -173.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' MET . . . . . . . . . . . . . 63.9 ttp -146.92 108.63 4.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.272 -1.517 . . . . 0.0 110.662 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.598 ' CG1' ' C46' ' B' 3402 ' ' BLM . 58.3 mt -94.54 115.39 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.749 -1.219 . . . . 0.0 109.019 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.5 114.11 27.46 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.345 1.058 . . . . 0.0 108.818 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -134.54 106.95 7.26 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.614 -1.304 . . . . 0.0 113.676 -159.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -91.36 88.76 6.98 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.704 -1.247 . . . . 0.0 111.065 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.5 -99.73 0.27 Allowed Glycine 0 N--CA 1.496 2.666 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.72 -10.24 55.92 Favored 'General case' 0 CA--C 1.587 2.4 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 171.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.49 94.78 7.22 Favored 'General case' 0 CA--C 1.573 1.84 0 O-C-N 119.565 -1.959 . . . . 0.0 113.67 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.5 ttm -84.9 124.42 31.61 Favored 'General case' 0 CA--C 1.577 1.988 0 O-C-N 120.404 -1.435 . . . . 0.0 113.854 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.28 118.09 27.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.259 -0.901 . . . . 0.0 110.695 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -98.14 104.6 16.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 111.647 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -99.52 109.68 22.2 Favored 'General case' 0 CA--C 1.565 1.552 0 O-C-N 120.759 -1.213 . . . . 0.0 112.149 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -87.14 148.31 25.25 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.2 104.52 1.48 Allowed 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.57 72.86 81.89 Favored Pre-proline 0 CA--C 1.578 2.056 0 C-N-CA 123.331 0.652 . . . . 0.0 111.444 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.89 -21.99 36.92 Favored 'Trans proline' 0 CA--C 1.57 2.299 0 N-CA-C 118.243 2.363 . . . . 0.0 118.243 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 66.71 3.81 Favored Glycine 0 N--CA 1.494 2.507 0 CA-C-N 119.773 1.169 . . . . 0.0 115.43 165.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 tp -128.01 127.95 44.13 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.225 1.01 . . . . 0.0 109.693 -175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.92 115.16 63.27 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.816 159.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.71 -26.02 44.97 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 76.2 mt -70.16 -47.63 60.82 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 168.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.23 12.49 1.87 Allowed 'General case' 0 CA--C 1.583 2.239 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 40.9 t -79.23 89.13 4.89 Favored 'General case' 0 CA--C 1.571 1.774 0 O-C-N 120.194 -1.566 . . . . 0.0 114.307 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 46.2 m95 -80.4 68.29 6.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.861 -1.15 . . . . 0.0 113.987 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.65 96.9 3.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.201 -0.937 . . . . 0.0 108.979 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.4 p -113.53 152.55 30.07 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -156.05 130.56 8.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.277 -0.889 . . . . 0.0 111.67 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 39.1 m -84.6 133.59 34.42 Favored 'General case' 0 CA--C 1.568 1.648 0 O-C-N 120.061 -1.649 . . . . 0.0 113.895 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 83.1 mt -95.54 107.42 19.59 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.313 -0.867 . . . . 0.0 109.585 167.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 1.135 ' NH2' ' S46' ' B' 2402 ' ' BLM . 38.0 mtt180 -91.9 74.54 5.65 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -171.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 9.2 mt -88.77 129.71 35.5 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -164.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . 0.427 1.3 m-20 -58.36 -28.39 65.08 Favored 'General case' 0 CA--C 1.624 3.819 0 N-CA-C 116.979 2.215 . . . . 0.0 116.979 176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.18 141.34 48.27 Favored 'General case' 0 N--CA 1.527 3.416 0 CA-C-N 123.586 2.903 . . . . 0.0 110.563 149.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 35.0 tp -87.25 -26.8 23.3 Favored 'General case' 0 CA--C 1.576 1.98 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 165.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.16 97.38 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.16 -67.97 0.22 Allowed 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.151 1.796 . . . . 0.0 114.756 168.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.69 -33.42 75.04 Favored 'General case' 0 CA--C 1.578 2.027 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 -177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -69.53 -43.7 72.47 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 169.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -58.31 -40.75 82.84 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 163.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -51.52 -54.02 31.59 Favored 'General case' 0 CA--C 1.572 1.813 0 N-CA-C 115.005 1.484 . . . . 0.0 115.005 165.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 69.6 m -52.73 -49.63 65.05 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -62.97 -40.55 98.04 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -75.34 -39.37 59.43 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 118.078 2.622 . . . . 0.0 118.078 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.97 -37.1 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 CA-C-N 121.511 1.959 . . . . 0.0 115.638 173.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.63 64.19 0.07 OUTLIER Glycine 0 N--CA 1.49 2.234 0 C-N-CA 123.776 0.703 . . . . 0.0 114.591 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 46.4 mt -136.17 118.0 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -80.32 136.16 36.36 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -80.8 103.42 10.63 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 121.869 0.842 . . . . 0.0 110.618 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -149.06 135.53 19.42 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.134 -0.979 . . . . 0.0 112.023 -165.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 97.5 p -64.61 -46.06 84.25 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 165.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -102.5 124.92 48.92 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 121.512 -0.742 . . . . 0.0 111.533 170.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.34 158.83 8.41 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 115.179 0.832 . . . . 0.0 115.179 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.38 116.35 3.4 Favored Pre-proline 0 CA--C 1.577 1.998 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.388 165.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.03 149.88 94.71 Favored 'Cis proline' 0 CA--C 1.573 2.43 0 CA-C-N 123.252 2.197 . . . . 0.0 117.341 7.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -143.37 155.55 44.45 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 pt -131.26 148.76 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.071 -1.018 . . . . 0.0 111.564 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -131.97 143.91 50.44 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.13 -0.981 . . . . 0.0 111.244 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.06 165.29 54.04 Favored Pre-proline 0 CA--C 1.588 2.42 0 N-CA-C 119.142 3.016 . . . . 0.0 119.142 -162.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.51 114.72 3.01 Favored 'Trans proline' 0 CA--C 1.578 2.697 0 C-N-CA 122.813 2.342 . . . . 0.0 117.861 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -120.85 177.77 4.97 Favored 'General case' 0 CA--C 1.586 2.335 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 58.2 mt -131.03 137.03 48.99 Favored 'General case' 0 CA--C 1.595 2.685 0 C-N-CA 125.325 1.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.522 ' C ' HG22 ' B' ' 125' ' ' ILE . 58.0 mt-30 -154.88 -86.11 0.06 Allowed 'General case' 1 CA--C 1.631 4.09 0 O-C-N 119.102 -2.249 . . . . 0.0 116.823 -140.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.646 ' N ' HG22 ' B' ' 125' ' ' ILE . . . -161.31 50.94 0.24 Allowed 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 125.588 5.403 . . . . 0.0 125.588 160.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . 0.876 ' H ' ' HA ' ' B' ' 125' ' ' ILE 0.508 0.0 OUTLIER -142.06 -89.86 0.14 Allowed 'General case' 0 N--CA 1.53 3.536 0 CA-C-N 123.247 2.749 . . . . 0.0 112.087 159.587 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.31 -35.37 0.33 Allowed Glycine 2 N--CA 1.526 4.692 1 N-CA-C 125.03 4.772 . . . . 0.0 125.03 -176.016 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' B' ' 123' ' ' ALA . . . -131.9 -121.4 2.26 Favored Glycine 1 CA--C 1.579 4.039 0 CA-C-N 121.899 2.85 . . . . 0.0 117.715 172.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 12.7 t -132.23 154.05 50.0 Favored 'General case' 0 N--CA 1.524 3.259 0 CA-C-N 123.347 3.573 . . . . 0.0 117.219 -171.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 9.4 ttp -143.74 144.18 31.72 Favored 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.889 -1.132 . . . . 0.0 113.848 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.79 -177.91 3.69 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.99 150.59 52.11 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.6 tp -140.51 127.65 20.94 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.559 1.143 . . . . 0.0 110.849 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 97.7 t -119.87 138.08 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 C-N-CA 124.108 0.963 . . . . 0.0 109.115 172.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -94.98 -175.99 0.52 Allowed Pre-proline 0 CA--C 1.592 2.56 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.71 -29.67 90.19 Favored 'Trans proline' 0 CA--C 1.573 2.462 0 N-CA-C 119.389 2.803 . . . . 0.0 119.389 166.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.05 -34.94 64.26 Favored 'General case' 0 CA--C 1.571 1.772 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 173.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.78 52.26 1.04 Allowed Glycine 0 N--CA 1.489 2.189 0 O-C-N 120.759 -1.213 . . . . 0.0 115.128 -166.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 4.7 m -113.32 121.33 44.07 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 8.0 tp -92.37 92.26 8.05 Favored 'General case' 0 CA--C 1.57 1.738 0 O-C-N 120.348 -1.47 . . . . 0.0 113.039 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.99 113.4 24.48 Favored 'General case' 0 CA--C 1.569 1.69 0 O-C-N 120.944 -1.097 . . . . 0.0 111.312 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -94.03 113.87 25.94 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.4 -0.812 . . . . 0.0 109.928 -172.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 58.3 mt -101.48 123.9 46.28 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 119.788 -1.82 . . . . 0.0 112.52 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . 0.362 1.1 mt -130.86 -168.68 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.127 0 O-C-N 120.94 -1.1 . . . . 0.0 112.289 -166.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -144.99 60.68 1.31 Allowed 'General case' 0 CA--C 1.616 3.501 0 N-CA-C 118.735 2.865 . . . . 0.0 118.735 -151.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . 0.281 7.3 t-20 -52.96 136.63 34.46 Favored 'General case' 0 N--CA 1.523 3.178 2 N-CA-C 129.798 6.962 . . . . 0.0 129.798 -133.443 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.57 ' HA ' ' H ' ' B' ' 122' ' ' LEU 0.433 0.7 OUTLIER -18.81 84.12 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.354 1 N-CA-C 123.075 4.472 . . . . 0.0 123.075 -143.898 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . 0.65 0.0 OUTLIER 57.8 -49.1 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.558 3 O-C-N 111.53 -6.981 . . . . 0.0 126.054 -34.675 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.57 ' H ' ' HA ' ' B' ' 120' ' ' GLU 0.271 77.7 mt -41.58 -48.59 4.04 Favored 'General case' 0 N--CA 1.509 2.515 0 CA-C-N 124.392 3.269 . . . . 0.0 112.72 178.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' B' ' 101' ' ' GLY . . . -29.3 4.76 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.5 1 N-CA-C 125.426 5.343 . . . . 0.0 125.426 -141.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . 43.49 75.86 0.14 Allowed Glycine 0 N--CA 1.477 1.372 0 N-CA-C 117.983 1.953 . . . . 0.0 117.983 146.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.876 ' HA ' ' H ' ' B' ' 99' ' ' TRP 0.493 17.4 mt -57.9 131.03 21.67 Favored 'Isoleucine or valine' 1 CA--C 1.636 4.279 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 -171.798 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . 0.528 ' N ' ' H ' ' B' ' 98' ' ' GLU . 82.6 p . . . . . 0 N--CA 1.522 3.169 1 O-C-N 115.597 -4.439 . . . . 0.0 115.467 173.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.425 0.631 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -63.22 139.28 58.75 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 123.703 0.801 . . . . 0.0 112.275 162.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -153.33 130.99 11.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 119.9 -1.75 . . . . 0.0 114.815 -163.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.39 118.96 32.41 Favored 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 123.627 0.771 . . . . 0.0 111.884 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p -103.94 143.7 27.19 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.05 121.4 5.35 Favored 'Trans proline' 0 CA--C 1.57 2.29 0 C-N-CA 122.518 2.146 . . . . 0.0 114.366 166.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.442 ' ND2' ' S43' ' B' 2402 ' ' BLM . 7.0 m120 -95.9 119.42 34.37 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 121.783 0.801 . . . . 0.0 111.232 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 75.3 mt -129.35 159.53 68.74 Favored Pre-proline 0 CA--C 1.584 2.256 0 C-N-CA 123.603 0.761 . . . . 0.0 112.427 -159.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -90.34 136.93 2.42 Favored 'Trans proline' 0 CA--C 1.57 2.31 0 C-N-CA 122.783 2.322 . . . . 0.0 115.07 -172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.2 t -131.35 119.09 21.2 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.488 -0.757 . . . . 0.0 111.585 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 71.8 mtm180 -73.79 -60.25 2.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -113.23 140.97 47.51 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 124.107 0.963 . . . . 0.0 109.562 164.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -72.0 -49.93 32.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -59.74 -39.53 85.06 Favored 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 120.998 1.726 . . . . 0.0 115.051 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m -54.18 -52.75 60.21 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 169.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 16.8 m -68.53 -51.19 45.67 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 119.609 1.095 . . . . 0.0 113.605 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.16 77.99 Favored 'General case' 0 CA--C 1.565 1.53 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.04 68.85 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 117.861 2.541 . . . . 0.0 117.861 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.1 -50.87 69.82 Favored 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 164.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -72.57 -36.98 68.31 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -68.37 -27.9 66.64 Favored 'General case' 0 CA--C 1.584 2.252 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -53.79 -42.72 68.61 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 119.638 -1.914 . . . . 0.0 116.014 153.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.02 29.29 0.34 Allowed 'General case' 0 CA--C 1.583 2.229 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.6 -8.46 34.54 Favored Glycine 0 N--CA 1.497 2.704 0 N-CA-C 120.655 3.022 . . . . 0.0 120.655 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -87.44 85.85 7.17 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.123 1.962 . . . . 0.0 112.111 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.42 152.56 51.94 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mt -78.9 85.11 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.985 0 CA-C-O 122.385 1.088 . . . . 0.0 110.111 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.53 -37.14 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' PHE . . . . . 1.656 ' CG ' H502 ' B' 2402 ' ' BLM . 1.4 t80 -135.67 140.09 44.22 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 124.677 1.191 . . . . 0.0 108.587 173.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -152.8 125.57 8.37 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.537 -0.727 . . . . 0.0 110.547 170.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . 0.807 ' OD2' H521 ' B' 2402 ' ' BLM 0.281 54.0 p30 -118.33 -88.73 0.61 Allowed 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 121.557 0.694 . . . . 0.0 111.819 171.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.17 -41.0 0.05 OUTLIER 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 126.219 1.807 . . . . 0.0 112.566 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.57 -27.33 39.39 Favored Glycine 0 CA--C 1.553 2.453 0 N-CA-C 118.807 2.283 . . . . 0.0 118.807 166.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' TRP . . . . . 0.465 ' CZ3' ' NM ' ' B' 2402 ' ' BLM . 25.9 t-105 -135.06 146.78 49.27 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 119.67 1.735 . . . . 0.0 111.988 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' MET . . . . . . . . . . . . . 63.9 ttp -146.33 108.66 4.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.233 -1.542 . . . . 0.0 110.614 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . 0.558 ' CG1' ' C46' ' B' 2402 ' ' BLM . 60.1 mt -94.74 116.52 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.766 -1.209 . . . . 0.0 109.011 -176.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 76.4 mt -110.07 111.25 22.51 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 124.192 0.997 . . . . 0.0 108.558 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -131.6 116.03 16.85 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.737 -1.227 . . . . 0.0 113.814 -163.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -91.54 81.11 5.36 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.929 -1.107 . . . . 0.0 110.963 171.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.08 -103.14 1.09 Allowed Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.395 -0.815 . . . . 0.0 114.655 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -81.81 -24.01 36.15 Favored 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -74.14 83.42 1.81 Allowed 'General case' 0 CA--C 1.574 1.89 0 O-C-N 119.949 -1.72 . . . . 0.0 114.248 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' MET . . . . . . . . . . . . . 35.8 ttm -82.45 122.13 27.63 Favored 'General case' 0 CA--C 1.572 1.823 0 O-C-N 120.671 -1.268 . . . . 0.0 113.146 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -119.22 115.99 25.34 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 123.388 0.675 . . . . 0.0 110.148 172.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.442 ' HB3' ' C44' ' B' 2402 ' ' BLM . 26.0 mt-10 -96.57 102.02 13.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.474 -0.766 . . . . 0.0 111.75 -175.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -97.69 107.23 19.68 Favored 'General case' 0 CA--C 1.565 1.527 0 O-C-N 120.814 -1.179 . . . . 0.0 112.065 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -85.86 148.17 25.93 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.12 103.77 1.28 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -129.17 72.84 81.97 Favored Pre-proline 0 CA--C 1.578 2.021 0 C-N-CA 123.373 0.669 . . . . 0.0 111.439 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.96 -21.85 36.66 Favored 'Trans proline' 0 CA--C 1.571 2.342 0 N-CA-C 118.217 2.353 . . . . 0.0 118.217 174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.08 66.66 3.83 Favored Glycine 0 N--CA 1.494 2.563 0 CA-C-N 119.75 1.159 . . . . 0.0 115.42 165.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.96 127.91 44.13 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.251 1.02 . . . . 0.0 109.713 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.88 115.16 63.25 Favored Pre-proline 0 CA--C 1.584 2.279 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.855 159.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -54.7 -26.11 45.32 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.033 3.051 . . . . 0.0 120.033 172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 76.6 mt -70.12 -47.67 60.76 Favored 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.18 12.44 1.87 Allowed 'General case' 0 CA--C 1.582 2.21 0 N-CA-C 118.953 2.946 . . . . 0.0 118.953 169.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 41.3 t -79.09 88.89 4.81 Favored 'General case' 0 CA--C 1.571 1.752 0 O-C-N 120.175 -1.578 . . . . 0.0 114.287 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -80.2 68.14 6.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.841 -1.162 . . . . 0.0 113.951 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -135.26 95.0 3.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.284 -0.885 . . . . 0.0 108.809 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 23.9 p -110.8 151.93 27.23 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.985 0.898 . . . . 0.0 113.276 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -154.7 130.54 10.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.908 . . . . 0.0 111.247 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' CYS . . . . . 0.401 ' SG ' ' S43' ' B' 3402 ' ' BLM . 37.3 m -84.34 131.56 34.69 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 120.236 -1.54 . . . . 0.0 113.413 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -91.66 106.54 18.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.25 -0.906 . . . . 0.0 108.896 164.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . 1.161 ' NH2' ' S46' ' B' 3402 ' ' BLM . 71.5 mtt-85 -87.7 88.42 7.66 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 18.9 mt -96.31 127.16 42.05 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 123.902 0.881 . . . . 0.0 111.219 -172.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' ASP . . . . . . . . . . . . 0.34 69.5 m-20 -71.87 -19.52 61.94 Favored 'General case' 0 CA--C 1.622 3.712 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.62 131.91 56.19 Favored 'General case' 0 N--CA 1.523 3.21 0 CA-C-N 123.301 2.773 . . . . 0.0 109.588 145.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.6 tp -84.32 -18.25 36.9 Favored 'General case' 0 CA--C 1.581 2.167 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 166.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.87 94.76 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 117.697 2.48 . . . . 0.0 117.697 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.45 -66.18 0.43 Allowed 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.297 1.862 . . . . 0.0 114.467 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -61.05 -32.99 72.61 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -70.4 -44.11 68.66 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 168.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 -57.56 -41.04 80.26 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 163.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.55 -54.27 29.22 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 164.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.71 -49.49 65.26 Favored 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -62.89 -40.73 98.44 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 171.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' SER . . . . . . . . . . . . . 89.9 p -75.23 -39.34 60.07 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.86 -37.08 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.513 0 CA-C-N 121.413 1.915 . . . . 0.0 115.632 173.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.67 64.14 0.07 OUTLIER Glycine 0 N--CA 1.489 2.22 0 C-N-CA 123.771 0.7 . . . . 0.0 114.588 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' ILE . . . . . . . . . . . . . 45.1 mt -136.35 118.1 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -80.42 136.3 36.32 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -80.94 103.73 10.96 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-O 121.79 0.805 . . . . 0.0 110.715 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -149.58 134.95 18.3 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.126 -0.984 . . . . 0.0 112.092 -165.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' SER . . . . . . . . . . . . . 98.0 p -64.03 -46.15 85.75 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 165.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -102.42 124.98 48.96 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 118.815 0.734 . . . . 0.0 111.589 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.71 159.14 8.62 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 115.23 0.852 . . . . 0.0 115.23 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -150.79 116.45 3.3 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 121.393 -1.063 . . . . 0.0 109.522 164.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.92 148.36 91.79 Favored 'Cis proline' 0 CA--C 1.572 2.383 0 CA-C-N 123.273 2.205 . . . . 0.0 117.114 7.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' ARG . . . . . . . . . . . . . 28.0 ptt-85 -141.94 153.11 44.11 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.56 0.744 . . . . 0.0 112.958 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 25.4 pt -128.07 149.13 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.177 0 O-C-N 121.382 -0.824 . . . . 0.0 111.579 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -129.9 141.8 50.75 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.05 -1.031 . . . . 0.0 110.65 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.19 161.51 56.01 Favored Pre-proline 0 CA--C 1.584 2.262 0 N-CA-C 119.006 2.965 . . . . 0.0 119.006 -164.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -62.88 91.82 0.14 Allowed 'Trans proline' 0 CA--C 1.57 2.319 0 C-N-CA 122.865 2.377 . . . . 0.0 117.155 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.79 150.12 20.53 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.656 0.741 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -74.18 139.16 44.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.648 -1.282 . . . . 0.0 113.456 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -117.47 144.48 44.98 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -162.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . . . -82.04 60.48 4.87 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 116.936 2.198 . . . . 0.0 116.936 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' TRP . . . . . . . . . . . . . 22.2 p-90 -168.61 -57.8 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.766 1.226 . . . . 0.0 110.421 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.09 -86.56 0.07 OUTLIER Glycine 0 N--CA 1.484 1.86 0 O-C-N 121.629 -0.669 . . . . 0.0 113.496 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . -114.0 -98.22 2.27 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 115.682 1.033 . . . . 0.0 115.682 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 9.2 t -150.48 141.93 23.41 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.99 -0.712 . . . . 0.0 112.54 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' MET . . . . . 0.599 ' CE ' ' O40' ' B' 3402 ' ' BLM . 41.9 ttp -135.62 125.98 26.61 Favored 'General case' 0 CA--C 1.568 1.662 0 O-C-N 121.274 -0.891 . . . . 0.0 111.634 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.92 170.72 8.33 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.06 146.8 40.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.149 -1.594 . . . . 0.0 114.112 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 47.0 tp -136.8 117.09 13.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.892 0.877 . . . . 0.0 109.846 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -111.38 136.17 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 123.813 0.845 . . . . 0.0 108.737 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.78 -175.55 0.49 Allowed Pre-proline 0 CA--C 1.59 2.511 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -58.35 -29.64 88.74 Favored 'Trans proline' 0 CA--C 1.573 2.464 0 N-CA-C 119.309 2.773 . . . . 0.0 119.309 166.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -74.21 -34.77 63.81 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.24 51.53 1.14 Allowed Glycine 0 N--CA 1.488 2.147 0 O-C-N 120.716 -1.24 . . . . 0.0 115.25 -165.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' THR . . . . . . . . . . . . . 5.0 m -112.03 119.96 40.25 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 tp -90.06 89.88 7.89 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 120.435 -1.415 . . . . 0.0 112.918 -171.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 mp -85.1 110.39 18.93 Favored 'General case' 0 CA--C 1.568 1.649 0 O-C-N 120.869 -1.144 . . . . 0.0 110.822 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -89.92 106.1 18.25 Favored 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 121.475 0.655 . . . . 0.0 109.7 -174.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' LEU . . . . . . . . . . . . . 50.1 mt -89.49 94.0 9.71 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 120.156 -1.59 . . . . 0.0 111.134 -166.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -89.25 133.31 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.18 -0.95 . . . . 0.0 110.763 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.97 115.07 20.97 Favored 'General case' 0 CA--C 1.566 1.591 0 O-C-N 121.653 -0.654 . . . . 0.0 110.889 156.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -71.34 149.2 46.29 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -107.08 -160.53 0.74 Allowed 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.43 -39.57 92.26 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 119.355 -2.091 . . . . 0.0 116.304 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.3 70.22 9.2 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.494 1.043 . . . . 0.0 111.916 167.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.02 77.9 4.52 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 122.777 1.275 . . . . 0.0 111.54 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' GLY . . . . . . . . . . . . . . . -78.57 84.97 1.17 Allowed Glycine 0 N--CA 1.483 1.776 0 CA-C-N 115.614 -0.721 . . . . 0.0 113.053 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.65 109.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 C-N-CA 123.137 0.575 . . . . 0.0 110.238 -176.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.557 1.236 0 CA-C-O 124.649 2.166 . . . . 0.0 111.157 177.182 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' ' CU' . . . . . 0.723 'CU ' ' NH ' ' B' 2402 ' ' BLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1402 ' ' ' CU' . . . . . 0.716 'CU ' ' NH ' ' B' 3402 ' ' BLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2402 ' ' BLM . . . . . 1.656 H502 ' CG ' ' C' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 3402 ' ' BLM . . . . . 1.557 H502 ' CG ' ' B' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_