data_2knv_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 2knv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.155 -0.378 . . . . 10.0 112.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -110.77 104.85 56.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 110.557 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.28 162.13 25.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.629 2.219 . . . . 10.0 111.906 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 -6.46 16.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.76 2.307 . . . . 10.0 111.897 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.86 -8.57 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.039 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.58 131.19 37.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.266 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.74 127.92 93.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.516 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.19 -25.12 76.77 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.014 2.476 . . . . 10.0 113.108 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -86.1 -28.71 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.414 . . . . 10.0 110.213 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 tt -73.05 -26.93 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.57 -13.69 62.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.393 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 m -71.0 -24.95 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.159 0.504 . . . . 10.0 109.857 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.39 -46.81 15.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.129 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.74 74.4 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.042 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -63.27 -37.41 87.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.637 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.9 mmm -66.13 -41.8 89.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.591 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.2 -40.18 95.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.102 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -72.47 -21.4 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.907 0.384 . . . . 10.0 111.293 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 mmm -75.97 -19.95 58.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.47 18.84 8.74 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.271 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.21 123.06 42.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -135.04 154.5 51.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.525 ' OD2' ' HA2' ' A' ' 27' ' ' GLY . 5.0 p-10 -121.39 143.53 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.961 0.41 . . . . 10.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -98.23 -49.55 4.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.134 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' H ' ' CD ' ' A' ' 25' ' ' GLU . . . -96.18 -7.48 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.525 ' HA2' ' OD2' ' A' ' 24' ' ' ASP . . . 94.81 29.19 9.38 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.296 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -72.6 -21.31 61.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.36 -0.494 . . . . 10.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.6 tp -62.82 -52.74 61.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -63.71 -29.43 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.563 0.221 . . . . 10.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -72.4 -42.03 65.64 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -33.4 75.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 96.2 mt -71.43 -15.22 62.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -95.41 -20.1 19.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 p -98.56 -42.74 7.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.042 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -104.08 12.99 33.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.478 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' CG ' ' H ' ' A' ' 38' ' ' TYR . 64.2 t30 66.62 -178.05 0.2 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.091 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.424 ' H ' ' CG ' ' A' ' 37' ' ' ASN . 82.4 m-85 -88.29 25.4 1.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 10.0 110.177 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.78 97.01 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.271 0.557 . . . . 10.0 110.647 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.7 -40.21 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.984 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.04 -25.07 69.16 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.181 -0.533 . . . . 10.0 112.804 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.79 -43.06 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.628 -0.336 . . . . 10.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.15 93.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.59 -34.26 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.113 0.482 . . . . 10.0 110.747 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.27 -25.81 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.052 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.7 -31.53 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.781 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -108.54 9.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.704 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -47.06 0.66 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -53.78 100.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.099 0.476 . . . . 10.0 112.213 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -111.59 -31.77 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -117.36 -57.69 2.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.481 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 t60 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.471 -0.776 . . . . 10.0 109.769 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.839 -0.504 . . . . 10.0 111.839 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -106.95 101.18 36.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 16.0 Cg_exo -68.24 143.79 60.13 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.556 2.17 . . . . 10.0 111.9 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -63.02 -4.39 6.09 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.013 2.475 . . . . 10.0 112.844 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -87.53 -8.35 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.924 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.19 139.04 30.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.473 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.87 124.94 89.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.22 -19.55 68.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.976 2.45 . . . . 10.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -91.5 -24.53 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.993 0.425 . . . . 10.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.73 -38.05 67.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.135 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.16 -24.39 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 10.0 110.088 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -74.38 -13.63 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.76 -27.63 69.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.271 0.558 . . . . 10.0 109.935 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 -42.69 18.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.219 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -39.66 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.722 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.08 -36.52 72.95 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.566 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.16 -43.33 99.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.807 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.28 -39.25 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.472 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -67.91 -23.46 65.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.107 0.479 . . . . 10.0 110.785 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 77.4 mmm -84.86 -7.74 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.246 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.43 1.68 64.14 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.127 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.4 123.41 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.217 0.532 . . . . 10.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 142.18 24.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -105.24 153.53 21.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.473 0.654 . . . . 10.0 111.553 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -43.97 5.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.2 79.19 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.222 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 38.64 29.2 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 121.303 -0.475 . . . . 10.0 113.083 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -96.55 -15.71 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 10.0 112.789 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.2 tp -70.48 -43.41 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.034 0.445 . . . . 10.0 110.042 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -67.03 -13.11 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.457 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -93.73 -44.18 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.115 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.52 -35.44 75.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.18 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.81 -12.69 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.699 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.29 -43.2 8.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.733 0.302 . . . . 10.0 110.651 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -44.84 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 10.0 112.15 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -95.32 8.36 43.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.656 0.265 . . . . 10.0 111.135 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 69.99 171.39 0.31 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -81.12 38.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.223 0.535 . . . . 10.0 110.742 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.36 90.67 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.923 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.6 mt -53.39 -47.9 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.837 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.67 -37.69 93.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.578 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.944 0.402 . . . . 10.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.69 94.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -33.14 75.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 10.0 110.814 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.0 -20.85 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.202 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.3 m -62.22 -32.15 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.346 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.8 pt -114.58 2.18 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.958 -0.297 . . . . 10.0 111.407 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 68.77 -14.17 0.29 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -77.94 69.97 4.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.191 0.52 . . . . 10.0 110.953 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 -18.48 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.547 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -94.81 -50.2 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.054 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 -179.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.587 -0.605 . . . . 10.0 111.587 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -74.72 124.19 89.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.79 0.295 . . . . 10.0 110.637 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.33 166.52 22.35 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.636 2.224 . . . . 10.0 111.58 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.19 -17.94 22.01 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.732 2.288 . . . . 10.0 112.577 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -70.98 -19.19 62.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.67 132.79 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.6 126.65 92.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.81 -20.32 70.89 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.022 2.481 . . . . 10.0 112.952 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -88.56 -41.43 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.817 0.341 . . . . 10.0 110.692 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.45 -37.61 87.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.201 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -75.41 -22.74 16.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 10.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.05 -13.48 60.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.489 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.16 -29.21 69.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 10.0 109.871 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.07 -47.22 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.73 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -37.81 87.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.616 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -58.88 -40.7 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.981 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mmm -66.01 -40.62 91.26 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.033 0.445 . . . . 10.0 110.158 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.91 -41.37 91.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.415 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -68.81 -14.47 63.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.168 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.9 ttm -90.24 -3.14 58.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.277 0.561 . . . . 10.0 110.02 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.97 57.15 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.994 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -109.34 123.62 49.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.024 0.44 . . . . 10.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 169.39 18.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -120.71 156.28 32.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.144 0.497 . . . . 10.0 111.019 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -49.54 3.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.58 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.88 3.13 84.72 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.914 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.06 47.09 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.558 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 28.8 p-90 -96.49 -25.07 15.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.84 -39.89 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 10.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -64.78 -22.42 66.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.123 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -94.65 -31.76 13.69 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.58 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.94 -40.48 89.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.66 -7.61 51.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.75 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -88.67 -34.17 17.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.699 0.285 . . . . 10.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -98.87 -9.86 23.68 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -126.42 8.92 7.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.633 0.254 . . . . 10.0 110.68 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 69.0 168.11 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.854 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.94 36.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.916 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.18 106.5 14.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.94 0.4 . . . . 10.0 110.186 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.33 -39.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.539 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.72 -55.6 26.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.189 -0.529 . . . . 10.0 112.534 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.53 79.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.345 0.117 . . . . 10.0 110.992 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.24 74.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.67 -33.28 74.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.971 0.415 . . . . 10.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.2 -31.54 67.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.762 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -61.22 -33.03 72.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.663 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 pt -106.71 6.51 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.761 -0.376 . . . . 10.0 111.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 3.8 mm-40 69.5 -38.58 0.41 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.38 79.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 10.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -100.24 -19.4 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -114.1 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.858 0.361 . . . . 10.0 110.458 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.511 -0.635 . . . . 10.0 111.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -107.32 98.36 22.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.794 0.33 . . . . 10.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -81.0 169.92 15.76 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.799 2.332 . . . . 10.0 112.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.16 -12.02 21.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.868 2.379 . . . . 10.0 112.176 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -70.27 -25.08 63.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.367 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.737 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.04 129.09 89.85 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.93 -25.2 74.16 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.706 2.271 . . . . 10.0 112.74 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -87.07 -24.49 24.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 10.0 110.248 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.12 -42.34 60.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.076 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -71.36 -24.21 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.432 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.64 -15.33 63.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -68.13 -28.07 66.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.21 0.529 . . . . 10.0 109.991 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.59 -48.22 23.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.282 0.563 . . . . 10.0 109.508 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -29.05 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.5 -44.91 93.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.264 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.0 mmm -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.928 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.01 -39.09 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.706 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -68.85 -23.99 64.3 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 111.355 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 80.4 mmm -83.49 -10.14 58.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.99 25.45 11.33 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.976 -0.63 . . . . 10.0 112.186 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.99 123.56 48.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 10.0 110.752 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.01 145.09 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.87 178.18 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.8 -0.36 . . . . 10.0 111.447 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -104.77 -60.78 1.55 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.55 -15.32 61.53 Favored Glycine 0 N--CA 1.463 0.444 0 N-CA-C 114.828 0.691 . . . . 10.0 114.828 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 38.52 4.77 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.281 -0.728 . . . . 10.0 111.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 42.5 p-90 -95.2 -23.66 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.001 -0.28 . . . . 10.0 111.696 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.8 -44.65 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -70.55 -16.27 62.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.303 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -90.65 -41.0 11.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.202 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.53 -35.07 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.2 -8.51 55.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.615 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -94.42 -39.16 10.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 10.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -86.03 -31.21 22.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.182 -0.463 . . . . 10.0 112.128 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -111.25 11.63 21.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.481 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.0 t30 70.32 168.74 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.76 0.662 . . . . 10.0 111.571 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.31 35.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.863 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -82.96 108.83 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.65 -34.41 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.12 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.62 62.22 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.907 -0.664 . . . . 10.0 111.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.09 77.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.622 0.248 . . . . 10.0 111.045 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.42 58.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.81 -33.88 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.029 0.442 . . . . 10.0 111.192 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.58 -38.1 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.253 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -54.18 -39.9 67.06 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.14 9.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.36 -40.27 0.47 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.697 . . . . 10.0 112.754 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 87.4 m-85 -60.28 99.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 10.0 111.042 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -119.93 -42.75 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -78.59 -69.84 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.727 -0.654 . . . . 10.0 109.618 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.004 -0.438 . . . . 10.0 112.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -93.49 112.29 55.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.736 0.303 . . . . 10.0 110.194 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.31 148.27 23.75 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.629 2.219 . . . . 10.0 112.562 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.03 -10.44 28.88 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.686 2.258 . . . . 10.0 111.885 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -85.05 -5.08 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.488 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 141.44 28.63 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.178 -0.465 . . . . 10.0 109.814 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.41 118.72 66.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 121.098 -0.241 . . . . 10.0 110.763 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.21 -22.69 58.24 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.139 2.559 . . . . 10.0 112.984 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -87.66 -39.98 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 10.0 110.658 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.47 -41.81 92.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.1 tt -68.99 -18.99 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 10.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.35 -13.63 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.365 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.7 m -61.57 -31.84 71.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 10.0 110.233 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.21 -44.34 53.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.989 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -36.87 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -60.36 -36.64 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.325 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 13' ' ' SER . 87.0 mmm -64.58 -36.13 83.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 10.0 110.136 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.67 -43.97 91.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.44 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -26.63 66.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 10.0 110.58 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 ttm -75.64 -18.34 59.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.613 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.72 11.44 40.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.394 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.42 123.34 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 10.0 110.013 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.55 137.61 26.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.214 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -114.85 121.71 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.213 0.53 . . . . 10.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -42.95 16.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.759 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.07 2.37 81.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.496 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.23 39.19 71.89 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.129 -0.558 . . . . 10.0 112.046 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 54.3 p-90 -91.22 -34.01 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.898 0.332 . . . . 10.0 111.898 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.78 -36.07 70.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.766 0.317 . . . . 10.0 110.264 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -21.56 64.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.245 0.545 . . . . 10.0 110.478 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -93.99 -35.08 12.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.759 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.06 -37.88 86.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.65 -12.13 59.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -95.57 -36.28 11.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.346 . . . . 10.0 110.996 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -84.29 -43.25 15.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.762 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 11.07 36.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.688 0.28 . . . . 10.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 67.26 177.53 0.24 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.042 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -87.16 36.86 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.854 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.55 102.26 15.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.88 -35.94 63.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.368 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.34 75.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.283 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.43 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.734 0.302 . . . . 10.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.76 75.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.818 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.0 -40.56 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.94 -31.28 72.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -34.8 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -109.48 5.12 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.576 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.43 -44.41 0.54 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.847 0.859 . . . . 10.0 112.976 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -50.65 112.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 10.0 112.08 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -30.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.715 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -107.19 -55.09 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.699 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.737 -0.649 . . . . 10.0 109.797 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . 0.501 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.628 -0.589 . . . . 10.0 111.628 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -94.45 104.03 12.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 4.4 Cg_exo -76.6 139.15 20.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.63 2.22 . . . . 10.0 111.973 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -64.08 -11.16 26.12 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.618 2.212 . . . . 10.0 112.623 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.53 -16.08 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.153 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.04 159.81 23.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.398 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -74.87 117.62 64.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.018 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.52 -15.12 46.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.72 2.28 . . . . 10.0 113.359 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -93.71 -38.12 11.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 10.0 110.335 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.91 -35.37 80.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.129 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 tt -69.33 -16.83 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.53 -12.8 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.356 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 6.5 m -60.24 -33.51 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 10.0 110.278 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.23 -42.9 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.729 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -38.23 89.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.446 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.66 -39.75 89.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 88.7 mmm -66.31 -37.6 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.124 0.488 . . . . 10.0 110.044 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.626 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -69.26 -13.33 62.33 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.3 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.7 ttm -82.87 -9.34 59.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 10.0 109.635 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.3 23.36 27.07 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.301 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -122.27 122.12 38.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.431 0.634 . . . . 10.0 110.256 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -146.56 140.74 26.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.882 -1.053 . . . . 10.0 108.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.47 140.82 29.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.347 0.594 . . . . 10.0 111.307 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.95 -38.34 9.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.641 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.74 10.43 72.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.923 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.98 37.84 93.58 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 121.298 -0.477 . . . . 10.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 62.0 p-90 -96.3 -26.0 15.55 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 tp -73.75 -37.36 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 10.0 110.132 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -65.18 -20.17 66.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.103 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -89.51 -28.44 19.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.635 0.731 . . . . 10.0 109.059 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.95 -42.69 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.62 -13.04 62.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.505 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -93.31 -26.1 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.891 0.377 . . . . 10.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -99.43 -25.8 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 10.0 112.129 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.05 14.85 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 10.0 111.104 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.65 166.91 0.24 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.537 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -81.25 54.94 2.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 106.89 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.44 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.7 mt -57.09 -49.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.35 -46.06 93.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.573 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.641 0.258 . . . . 10.0 110.962 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.01 90.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.092 0.472 . . . . 10.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.55 -34.59 78.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.859 0.362 . . . . 10.0 111.845 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.8 m -65.74 -35.59 81.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.272 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 pt -103.07 -10.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 65.57 -7.22 0.35 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -78.86 87.28 4.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.953 0.406 . . . . 10.0 110.216 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 -20.22 5.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mppt? -118.99 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.751 -0.642 . . . . 10.0 109.574 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -98.75 109.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.969 0.385 . . . . 10.0 110.498 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 57.7 Cg_endo -72.31 147.49 47.46 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.414 2.076 . . . . 10.0 112.247 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -63.77 -15.1 46.89 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.832 2.355 . . . . 10.0 112.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.39 -2.69 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.011 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.62 122.94 31.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.63 125.2 84.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 29.1 Cg_endo -62.17 -19.0 65.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.072 2.515 . . . . 10.0 113.52 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 58.6 mtm180 -93.86 -32.55 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.045 0.45 . . . . 10.0 110.128 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.05 -34.33 77.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.151 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.13 -14.65 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.28 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 13.3 mm-40 -71.33 -17.24 62.45 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.993 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -58.17 -32.86 68.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.051 0.453 . . . . 10.0 110.663 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.63 -44.98 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.943 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -37.58 86.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.796 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -57.24 -46.2 83.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.026 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.06 -43.08 96.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 10.0 110.243 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.07 -50.31 72.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.765 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -64.3 -25.56 68.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.358 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.47 ' SD ' HD13 ' A' ' 44' ' ' LEU . 48.7 ttm -77.07 -16.82 59.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.374 0.607 . . . . 10.0 110.143 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.03 13.74 33.02 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.362 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.175 0.512 . . . . 10.0 109.666 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -160.94 126.19 3.73 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.263 -0.88 . . . . 10.0 108.933 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.36 173.61 6.23 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.802 -0.359 . . . . 10.0 110.646 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.6 6.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.36 -16.63 80.25 Favored Glycine 0 C--O 1.234 0.109 0 C-N-CA 120.679 -0.772 . . . . 10.0 113.319 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.88 31.28 8.73 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 111.379 -0.689 . . . . 10.0 111.379 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -91.89 -31.91 15.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.45 -35.45 70.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 10.0 109.89 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -68.43 -17.94 64.32 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.436 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -94.11 -36.68 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 3.8 tp -58.14 -39.73 79.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.912 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.98 -10.09 50.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.835 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.44 -54.94 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.993 0.425 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -34.23 56.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.387 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 3.6 mptp? -95.95 4.72 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.207 -0.197 . . . . 10.0 111.018 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 73.49 163.53 0.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.952 0.782 . . . . 10.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.72 36.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.42 101.36 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 10.0 109.851 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.42 -42.47 80.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -48.43 84.21 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.128 -0.558 . . . . 10.0 112.227 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 10.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.88 91.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 10.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD13 ' SD ' ' A' ' 20' ' ' MET . 4.4 mp -59.84 -41.14 90.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.599 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.45 -21.26 58.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.345 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.4 m -63.46 -34.25 77.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.278 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 24.0 pt -110.72 17.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 34.2 mm-40 70.5 -51.2 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.18 105.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 10.0 111.163 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 m -130.36 -27.62 2.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.735 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -100.99 -49.91 3.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.73 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.907 -0.568 . . . . 10.0 109.595 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . 0.445 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.679 -0.568 . . . . 10.0 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.66 111.12 18.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.766 0.317 . . . . 10.0 110.703 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 88.3 Cg_endo -89.13 163.08 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.752 2.301 . . . . 10.0 112.103 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.27 -2.2 6.69 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.914 2.409 . . . . 10.0 112.392 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -81.07 -14.35 57.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.966 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.78 146.38 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.342 . . . . 10.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -77.4 129.9 76.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.489 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.82 -22.52 74.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.24 2.626 . . . . 10.0 113.548 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -89.86 -35.33 15.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 10.0 110.181 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.04 -39.34 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 tt -77.02 -7.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.152 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.41 -16.47 45.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.777 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -61.55 -27.93 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.907 0.384 . . . . 10.0 110.686 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.02 -49.4 24.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.382 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -33.8 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -60.44 -45.84 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.726 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.3 mmm -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.43 -45.91 85.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.439 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -26.65 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 33.0 ttm -71.48 -21.53 61.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.75 10.6 26.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.88 123.15 47.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 10.0 110.178 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -149.76 141.73 23.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.739 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -102.88 148.8 25.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.465 0.65 . . . . 10.0 111.411 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 -40.81 4.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.889 -1.05 . . . . 10.0 109.782 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.6 -4.34 89.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.369 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 31' ' ' ARG . . . 79.44 36.95 25.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.504 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -95.75 -25.05 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.672 0.272 . . . . 10.0 111.587 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -84.21 -37.59 21.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.054 0.454 . . . . 10.0 110.196 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -65.73 -26.84 67.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.424 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 27' ' ' GLY . 5.4 mtm180 -90.09 -16.89 28.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.316 0.579 . . . . 10.0 109.618 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.21 -40.16 74.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.993 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.89 -13.55 62.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.757 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -90.76 -24.24 20.42 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.419 ' CB ' ' HZ3' ' B' ' 36' ' ' LYS . 3.7 p -100.77 -40.98 7.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.419 ' HZ3' ' CB ' ' B' ' 35' ' ' THR . 2.0 mptp? -101.11 19.61 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.571 0.224 . . . . 10.0 111.097 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.64 179.74 0.23 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.463 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -96.16 30.34 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.67 111.06 20.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 110.755 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.44 -43.15 93.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.488 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.19 -55.76 27.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.218 -0.515 . . . . 10.0 112.701 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.38 90.98 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.064 0.459 . . . . 10.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.51 -24.22 60.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.279 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -60.49 -33.27 72.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 10.0 112.01 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 pt -104.61 1.09 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.94 19.48 10.74 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.48 24.7 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.388 0.613 . . . . 10.0 109.629 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -27.28 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.477 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -82.1 -49.39 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.131 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.195 -0.907 . . . . 10.0 110.625 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.966 -0.454 . . . . 10.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.34 109.93 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.619 0.209 . . . . 10.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 1' ' ' GLY . 93.9 Cg_endo -88.65 157.14 6.31 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.843 2.362 . . . . 10.0 112.415 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.47 -15.53 41.71 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.946 2.431 . . . . 10.0 112.236 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -74.04 -18.61 60.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.05 143.34 34.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.9 122.19 86.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.628 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.02 -20.65 72.05 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.814 2.343 . . . . 10.0 112.846 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -89.65 -31.73 17.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.391 . . . . 10.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -67.76 -39.43 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -71.55 -21.27 21.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.003 0.43 . . . . 10.0 110.423 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.72 -13.74 61.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.37 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -66.46 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.047 0.451 . . . . 10.0 110.596 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.71 -44.34 56.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.57 69.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.325 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -59.2 -48.21 82.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.449 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.56 -42.43 95.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.199 0.523 . . . . 10.0 110.05 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.94 -40.46 93.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.845 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -74.46 -26.97 60.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.0 ttm -75.56 -14.01 60.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.468 0.652 . . . . 10.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.49 4.87 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.974 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -137.12 123.23 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -147.79 170.86 16.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.095 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -114.92 159.36 20.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.335 0.588 . . . . 10.0 110.545 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -46.93 3.44 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.642 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.86 2.91 82.66 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.879 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 42.86 25.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.598 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.553 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 69.4 p-90 -95.86 -28.41 14.73 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.639 -0.33 . . . . 10.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -72.8 -36.64 67.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.021 0.439 . . . . 10.0 110.11 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.373 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -90.4 -30.35 17.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.83 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.79 -43.66 98.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.55 -7.45 20.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.77 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -92.86 -40.74 10.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.288 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.0 p -98.39 -4.6 34.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 10.0 111.96 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.91 6.06 9.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 69.53 169.32 0.3 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -85.89 41.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.016 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.23 112.33 24.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.185 0.517 . . . . 10.0 110.72 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.63 -49.2 85.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.623 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.43 -47.65 81.69 Favored Glycine 0 C--N 1.329 0.19 0 CA-C-N 116.006 -0.543 . . . . 10.0 112.954 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.68 92.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.7 0.286 . . . . 10.0 111.518 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.04 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.803 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.75 -36.13 82.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.416 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.14 -24.46 54.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.176 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 m -66.23 -31.42 72.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.527 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 42.9 pt -104.37 4.29 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.636 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.543 ' HG2' ' CE2' ' B' ' 49' ' ' TYR . 16.1 mm-40 71.95 -43.37 0.56 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.266 0.626 . . . . 10.0 112.454 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -69.09 90.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 10.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -116.58 -14.88 10.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.384 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -101.68 -50.75 3.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 10.0 110.488 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.619 -0.705 . . . . 10.0 109.771 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.91 106.43 40.9 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.799 0.333 . . . . 10.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.5 156.51 21.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.572 2.181 . . . . 10.0 111.503 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.42 -0.17 5.49 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.797 2.332 . . . . 10.0 112.767 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -80.05 -20.18 45.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.175 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 141.02 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.187 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.21 122.21 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.476 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 29.8 Cg_endo -63.66 -17.27 59.24 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.92 2.413 . . . . 10.0 113.892 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 66.9 mtm180 -92.8 -30.76 15.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.779 0.323 . . . . 10.0 110.313 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.67 -38.31 86.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.049 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 tt -72.31 -16.91 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.615 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 9' ' ' ARG . 60.0 mm-40 -73.07 -25.22 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -61.97 -33.02 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.811 0.339 . . . . 10.0 111.222 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.27 -42.78 62.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -28.05 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.957 0.408 . . . . 10.0 110.376 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -63.82 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.5 mmm -62.36 -42.24 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.45 -40.55 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.438 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -32.59 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.16 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 34.9 ttm -69.11 -29.09 67.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.373 0.606 . . . . 10.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.79 25.96 4.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.408 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.89 121.71 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -172.92 126.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.9 178.79 4.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.683 0.278 . . . . 10.0 111.11 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -44.67 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.727 -178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.51 63.99 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.333 -0.46 . . . . 10.0 113.043 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' B' ' 31' ' ' ARG . . . 98.36 21.69 16.63 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . 0.553 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 8.2 p-90 -74.83 -30.75 61.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.555 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.57 -40.73 73.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 10.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -69.61 -18.99 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 10.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' B' ' 27' ' ' GLY . 28.2 mmm180 -88.0 -37.93 15.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.09 -36.49 81.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.97 -8.58 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.677 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -95.24 -47.7 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.986 -0.285 . . . . 10.0 111.118 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -79.81 -31.25 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 10.0 111.808 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -100.37 6.19 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.851 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.28 -177.92 0.22 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.518 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.62 34.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.304 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.79 103.51 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.188 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.33 -45.88 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.62 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -44.57 96.37 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.163 -0.541 . . . . 10.0 112.93 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.85 72.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 10.0 111.551 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.97 78.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.69 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.59 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -83.01 -7.24 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.641 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -65.63 -38.42 89.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.753 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 pt -115.77 17.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.798 -0.361 . . . . 10.0 111.933 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 73.49 -42.16 0.51 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.171 0.588 . . . . 10.0 112.025 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.543 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 93.5 m-85 -57.32 97.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 10.0 111.266 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.59 -39.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.12 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -84.6 -59.24 2.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.668 -0.682 . . . . 10.0 110.653 -179.498 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.85 -0.5 . . . . 10.0 111.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.01 119.58 54.98 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.542 0.171 . . . . 10.0 110.621 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.13 144.98 27.26 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.072 1.848 . . . . 10.0 111.631 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.16 -20.32 23.9 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.324 2.682 . . . . 10.0 113.178 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.87 -23.51 60.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.801 0.334 . . . . 10.0 111.017 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 137.17 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.07 120.2 67.65 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 37.4 Cg_endo -66.21 -17.37 54.41 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.894 2.396 . . . . 10.0 112.73 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -92.87 -38.42 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.994 0.426 . . . . 10.0 110.182 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.0 -36.54 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.32 -16.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 10.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 mm-40 -78.21 -13.19 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.281 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -62.37 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.46 -46.19 41.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.932 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -59.25 -40.51 86.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.8 mmm -64.64 -42.71 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.368 0.604 . . . . 10.0 109.689 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.11 -44.41 96.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.37 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 m -65.03 -28.1 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.803 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.9 mtm -79.17 -6.01 55.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.674 0.274 . . . . 10.0 111.109 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.12 15.97 36.91 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -103.19 122.45 44.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.256 0.55 . . . . 10.0 110.429 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -155.76 144.9 20.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.67 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 29' ' ' LEU . 7.8 p30 -95.05 153.2 17.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.309 0.576 . . . . 10.0 111.478 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.22 6.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.544 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.01 61.4 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.507 -0.77 . . . . 10.0 111.914 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.84 45.42 8.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.978 -0.63 . . . . 10.0 112.308 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 31.4 p-90 -95.45 -30.53 13.83 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.841 -0.211 . . . . 10.0 111.36 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 22.5 tp -71.99 -38.48 69.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.593 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -63.47 -19.22 64.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.603 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -93.05 -33.53 14.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.19 0.519 . . . . 10.0 109.908 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.0 -38.06 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.725 -0.671 . . . . 10.0 111.049 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.47 -16.33 63.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -94.33 -17.96 22.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.798 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.92 -40.0 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 10.0 112.119 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -109.27 16.71 22.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.646 0.26 . . . . 10.0 111.129 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 68.69 175.26 0.28 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.55 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.56 26.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.674 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.57 110.13 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.039 0.447 . . . . 10.0 110.444 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.94 -42.18 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.127 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.94 73.07 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.619 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.45 84.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.268 . . . . 10.0 111.237 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.83 95.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.417 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' HA ' ' A' ' 50' ' ' SER . 8.1 tp -71.18 -28.86 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.071 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -20.18 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -56.84 -35.96 69.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.073 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.47 HD12 ' H ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -111.21 12.77 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -178.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.658 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.4 mm-40 69.49 -30.31 0.19 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' A' ' 47' ' ' ILE . 65.8 m-85 -70.79 74.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.126 0.489 . . . . 10.0 111.066 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.468 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 3.6 m -104.13 -2.81 25.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.741 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -122.2 -62.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.133 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.558 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.509 -0.637 . . . . 10.0 111.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.8 98.16 23.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 151.04 25.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.446 2.097 . . . . 10.0 112.361 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.76 -5.88 15.46 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.824 2.349 . . . . 10.0 112.195 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -75.27 -22.55 57.72 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.888 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.94 151.79 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.148 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.36 131.27 59.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 36.6 Cg_endo -64.75 -20.19 64.82 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.179 2.586 . . . . 10.0 113.176 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -93.68 -37.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.35 -42.0 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.71 -17.04 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 10.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 10.6 mm-40 -73.28 -12.5 60.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' B' ' 17' ' ' MET . 14.4 m -55.46 -32.16 62.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 10.0 110.625 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.11 -41.1 67.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.59 70.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -60.52 -44.5 95.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.501 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' B' ' 13' ' ' SER . 92.9 mmm -64.43 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.341 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.88 -46.02 86.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.44 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 16.2 t -70.4 -19.16 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ttm -81.93 -12.03 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.173 0.511 . . . . 10.0 110.472 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 11.9 40.52 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.64 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.15 124.29 42.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.726 0.298 . . . . 10.0 110.299 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -150.56 148.81 29.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.156 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -110.96 137.74 48.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.046 0.451 . . . . 10.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 -22.89 25.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.695 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 21.95 7.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.493 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.31 42.86 99.89 Favored Glycine 0 C--O 1.23 -0.126 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 45.1 p-90 -96.04 -26.78 15.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 10.0 111.164 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.42 -38.32 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.22 68.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.405 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -83.61 -35.84 24.34 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.827 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.08 -35.91 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.39 -8.26 54.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -94.84 -46.16 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.954 0.407 . . . . 10.0 110.084 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -77.91 -40.68 39.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.006 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -101.56 9.76 40.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.612 0.244 . . . . 10.0 111.019 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 69.45 178.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.645 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -92.27 35.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.35 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.87 106.53 17.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -56.61 -46.43 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.852 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.13 53.54 Favored Glycine 0 N--CA 1.454 -0.106 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.675 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.66 95.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.986 0.422 . . . . 10.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.78 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.95 -42.23 94.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.164 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.14 -28.4 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -59.48 -38.12 80.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.492 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 pt -101.19 4.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? 71.34 -51.25 0.69 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.892 0.877 . . . . 10.0 112.171 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.658 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 87.8 m-85 -54.21 100.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.987 0.423 . . . . 10.0 111.453 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -116.1 -35.27 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -94.34 -69.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.306 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.554 -0.736 . . . . 10.0 110.049 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -85.63 112.82 47.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.626 0.213 . . . . 10.0 110.918 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.75 161.54 41.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.714 2.276 . . . . 10.0 112.158 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.43 -4.9 10.29 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.095 2.53 . . . . 10.0 112.801 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.07 -21.43 43.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.581 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.29 133.7 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.418 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.4 125.9 92.14 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.007 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.44 -22.37 74.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 114.04 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -93.36 -40.58 10.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.687 0.28 . . . . 10.0 110.861 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.73 -41.67 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.363 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.74 -23.71 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.052 0.453 . . . . 10.0 111.443 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.08 -12.04 61.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.669 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -56.19 -33.93 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 10.0 110.52 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.71 -44.9 63.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -37.44 87.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.498 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -62.53 -44.31 96.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.6 mmm -63.56 -41.8 98.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.45 -40.03 93.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.268 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -74.39 -17.41 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.047 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.481 ' SD ' HD11 ' A' ' 44' ' ' LEU . 49.9 ttm -84.96 -8.6 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.048 0.452 . . . . 10.0 110.172 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.26 11.59 36.0 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.652 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.12 124.5 41.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 m -146.99 143.33 28.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.062 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' OD1' ' HA2' ' A' ' 27' ' ' GLY . 3.9 p30 -101.73 158.23 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.36 0.6 . . . . 10.0 111.646 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -47.0 2.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.023 -0.99 . . . . 10.0 108.997 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.53 5.89 77.43 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.864 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA2' ' OD1' ' A' ' 24' ' ' ASP . . . 77.42 40.78 22.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.536 -0.364 . . . . 10.0 112.975 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p-90 -95.99 -24.05 16.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.767 0.654 . . . . 10.0 112.767 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.39 -41.9 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 10.0 110.612 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -69.52 -12.71 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -94.15 -39.09 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.59 -38.48 81.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.692 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.14 -9.39 58.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -96.2 -46.08 6.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.891 0.377 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -76.21 -36.98 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.232 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -110.8 17.48 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.685 0.279 . . . . 10.0 111.749 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 t30 69.03 171.83 0.3 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.675 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.73 33.28 0.47 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.57 105.43 13.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.896 0.379 . . . . 10.0 110.411 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.8 -45.54 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.278 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.56 -41.47 98.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.666 0.27 . . . . 10.0 110.885 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.59 96.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 20' ' ' MET . 6.5 mp -64.06 -41.93 97.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.61 -21.35 61.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.541 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -59.6 -37.72 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.448 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 pt -111.72 7.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.314 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.486 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 50.4 mm-40 71.94 -39.02 0.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.695 0.798 . . . . 10.0 113.004 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -57.15 97.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.224 0.535 . . . . 10.0 111.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -34.45 6.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.852 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -121.53 -64.92 1.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.069 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.13 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.57 -0.612 . . . . 10.0 111.57 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.76 105.31 20.23 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.294 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 86.0 Cg_endo -86.93 148.75 8.24 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.576 2.184 . . . . 10.0 112.385 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.12 -4.95 9.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.699 2.266 . . . . 10.0 112.128 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.12 -17.6 56.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.201 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.57 136.71 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.262 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.97 131.0 91.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.575 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 22.7 Cg_endo -60.71 -21.84 71.03 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.969 2.446 . . . . 10.0 113.054 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -93.33 -28.07 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.746 0.308 . . . . 10.0 110.412 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.29 -40.09 77.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 10.0 110.528 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.03 -19.63 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 10.0 111.204 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' B' ' 12' ' ' GLU . 4.5 mm-40 -71.63 -12.9 61.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.646 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.2 m -56.74 -36.4 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 10.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.76 -46.5 62.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.904 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -38.84 90.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.236 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.68 -46.11 91.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -64.83 -39.76 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -47.11 87.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.44 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -68.82 -21.47 64.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.078 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.9 ttm -79.49 -6.34 56.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.26 12.61 54.29 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.508 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -96.43 122.78 39.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.162 0.506 . . . . 10.0 110.683 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -153.87 131.6 11.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.116 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -87.42 156.3 19.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.094 0.473 . . . . 10.0 111.606 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -28.61 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.18 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.01 12.8 17.16 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.872 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 38.99 57.73 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.928 -0.653 . . . . 10.0 113.218 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -96.64 -19.52 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 tp -70.57 -36.54 73.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -69.04 -14.59 63.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.145 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.45 -35.94 13.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.456 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -37.72 79.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.792 . . . . 10.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.91 -9.19 54.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.346 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -94.05 -39.41 10.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.881 0.372 . . . . 10.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -89.41 -39.22 13.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 10.0 112.091 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 11.23 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.134 -0.226 . . . . 10.0 110.927 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.8 t30 69.73 170.37 0.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.852 0.72 . . . . 10.0 111.231 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -84.9 34.78 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -90.27 110.51 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.064 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.5 -42.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.224 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -49.39 79.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.38 95.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.803 0.335 . . . . 10.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.81 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.395 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.54 -39.62 94.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 10.0 111.227 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.04 -6.44 52.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.733 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.0 m -70.02 -34.38 73.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.4 pt -114.01 15.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 71.07 -37.52 0.4 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.916 0.71 . . . . 10.0 112.916 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 98.6 m-85 -63.6 88.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 10.0 110.791 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -115.07 -51.1 2.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.462 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -74.06 -39.51 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.082 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.606 -0.711 . . . . 10.0 109.944 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.672 -0.571 . . . . 10.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 4.3 m -91.83 109.12 34.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.607 0.203 . . . . 10.0 110.649 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 2' ' ' SER . 6.0 Cg_exo -77.72 163.28 29.21 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.0 2.466 . . . . 10.0 111.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.62 -17.52 60.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.716 2.277 . . . . 10.0 112.0 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.51 -17.17 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.97 127.88 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.254 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 11.2 t70 -63.21 120.81 65.02 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.68 -17.92 61.02 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.912 2.408 . . . . 10.0 113.119 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -93.28 -40.16 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 30.7 tp -68.88 -37.3 78.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.236 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 tt -67.47 -22.17 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.085 0.469 . . . . 10.0 110.999 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.12 -13.11 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.717 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.3 m -60.11 -35.64 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 10.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.78 -48.91 62.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.019 0.437 . . . . 10.0 110.25 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -33.43 76.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -58.95 -46.42 88.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.159 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.13 -42.1 99.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.783 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.415 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -68.48 -26.52 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mmm -78.86 -2.94 42.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.815 0.341 . . . . 10.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.97 57.69 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.089 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.72 124.71 45.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.029 0.442 . . . . 10.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -147.41 160.25 42.78 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.428 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -117.64 147.97 42.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.474 0.654 . . . . 10.0 111.141 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 -44.74 5.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.13 -0.941 . . . . 10.0 109.251 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.09 -4.9 68.4 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.121 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.87 39.7 9.28 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.877 -0.677 . . . . 10.0 112.728 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.1 p-90 -96.29 -15.02 22.18 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.779 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.19 -43.37 74.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.916 0.388 . . . . 10.0 109.969 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -65.73 -25.41 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.499 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -82.64 -33.26 27.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.944 0.402 . . . . 10.0 109.922 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.88 -40.42 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.395 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.24 -13.22 62.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.559 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -94.17 -30.69 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.884 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 -44.51 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -99.27 13.37 33.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.95 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 69.98 173.14 0.3 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.72 34.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.017 0.437 . . . . 10.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.94 104.28 15.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.67 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -57.74 -46.04 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.353 -0.84 . . . . 10.0 111.398 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.4 94.02 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.106 -0.569 . . . . 10.0 112.95 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.14 -44.2 63.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 10.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.02 93.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.086 0.47 . . . . 10.0 111.945 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.9 -9.7 59.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.338 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.9 m -65.43 -33.98 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 pt -111.03 17.64 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.743 0.645 . . . . 10.0 112.743 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.623 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.5 mm-40 68.54 -41.6 0.46 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.553 0.946 . . . . 10.0 113.553 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 75.6 m-85 -64.87 84.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.076 0.465 . . . . 10.0 112.015 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.66 -15.16 13.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.424 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -110.87 -73.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.977 -0.449 . . . . 10.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -101.39 104.45 33.71 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 10.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -86.16 157.21 9.78 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.545 2.163 . . . . 10.0 112.526 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.2 -12.29 34.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.784 2.322 . . . . 10.0 111.922 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -79.94 -15.16 57.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.858 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.72 140.66 31.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.693 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 10.3 t0 -65.75 122.0 78.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.489 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.56 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 37.7 Cg_endo -65.09 -21.62 62.81 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.069 2.513 . . . . 10.0 113.602 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -93.99 -40.89 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.779 0.324 . . . . 10.0 110.584 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 20.1 tp -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.34 -16.49 20.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.057 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 48.2 mm-40 -77.26 -12.54 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.855 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -53.98 -34.0 58.56 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.68 0.276 . . . . 10.0 111.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.0 -45.27 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.743 0.306 . . . . 10.0 110.686 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -37.19 85.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.555 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.82 -44.0 90.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.61 -40.43 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -63.31 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.151 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -22.25 62.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.125 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 42.0 ttm -75.72 -13.01 60.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.255 0.55 . . . . 10.0 110.361 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.6 20.38 15.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.099 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -106.44 125.8 51.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -142.9 137.57 29.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.85 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.95 146.9 45.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.017 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.01 16.34 10.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.89 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 4.51 9.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 27.7 72.64 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 111.445 -0.662 . . . . 10.0 111.445 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 30.4 p-90 -96.88 -19.25 18.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.61 -43.13 73.39 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' B' ' 34' ' ' GLN . 7.6 t -63.79 -21.73 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.628 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -93.3 -27.51 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.262 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.414 HD11 ' HZ2' ' B' ' 36' ' ' LYS . 16.9 tp -63.96 -40.64 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.728 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.68 -9.29 58.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.942 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 30' ' ' THR . 35.1 mm-40 -95.35 -38.95 10.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.954 0.407 . . . . 10.0 110.401 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -78.6 -44.36 24.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.858 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.414 ' HZ2' HD11 ' B' ' 32' ' ' LEU . 14.0 mttp -105.23 15.48 27.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.905 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.411 ' CG ' ' H ' ' B' ' 38' ' ' TYR . 35.3 t30 64.55 -175.76 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.375 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . 0.411 ' H ' ' CG ' ' B' ' 37' ' ' ASN . 63.8 m-85 -86.76 35.07 0.67 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.077 0.465 . . . . 10.0 110.858 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.01 95.61 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.56 -41.16 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.566 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.19 -47.65 89.77 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.95 93.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.703 0.287 . . . . 10.0 111.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.71 93.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.402 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.24 -38.32 90.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 10.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.9 -29.75 67.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -56.53 -41.83 77.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.174 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 pt -103.64 1.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 13.5 mm-40 70.85 -42.82 0.54 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.575 0.75 . . . . 10.0 112.798 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . 0.623 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 60.0 m-85 -61.27 93.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 111.266 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -15.02 4.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.421 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -131.85 11.68 4.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.578 0.228 . . . . 10.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.696 -0.668 . . . . 10.0 109.383 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.653 -0.579 . . . . 10.0 111.653 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -89.81 109.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.52 159.13 16.89 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.381 2.054 . . . . 10.0 112.226 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.29 -12.98 33.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.781 2.321 . . . . 10.0 111.75 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.62 -22.04 54.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.706 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.73 137.47 38.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.41 126.5 86.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.441 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 36.0 Cg_endo -64.33 -19.03 65.2 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.863 2.375 . . . . 10.0 112.87 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -92.27 -28.12 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.776 0.322 . . . . 10.0 111.259 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.4 -28.16 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 10.0 110.68 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -77.89 -23.34 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.299 0.571 . . . . 10.0 110.476 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 35.4 mm-40 -78.76 -13.31 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.652 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -60.4 -30.23 69.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.156 0.503 . . . . 10.0 109.865 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.57 -48.01 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.671 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -32.28 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.5 -44.2 89.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.526 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mmm -65.33 -39.78 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.124 0.488 . . . . 10.0 109.959 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.91 -43.58 95.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.357 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t -67.66 -31.71 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.192 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -67.64 -29.81 69.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.331 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.52 19.81 6.44 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -110.6 123.37 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.457 . . . . 10.0 110.304 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -152.65 153.66 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.379 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.16 156.97 17.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.016 0.436 . . . . 10.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' B' ' 35' ' ' THR . 0.0 OUTLIER -110.41 -28.26 8.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.728 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 6.96 48.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.24 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 37.68 56.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.315 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 67.5 p-90 -96.58 -34.73 11.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.45 -39.37 85.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 10.0 110.067 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -63.1 -14.42 48.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.103 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -94.51 -40.54 9.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.66 -32.18 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.31 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -11.34 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.255 0.55 . . . . 10.0 110.925 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.42 -40.28 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.17 0.509 . . . . 10.0 110.334 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 -33.98 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.186 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -111.6 18.82 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.73 -177.29 0.21 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.649 0.593 . . . . 10.0 111.773 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -92.76 25.21 3.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.835 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.18 101.57 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -54.43 -40.35 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.461 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.11 54.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.958 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.95 98.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.693 0.283 . . . . 10.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.03 83.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.71 -32.85 74.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.55 -35.28 73.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.27 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -58.86 -31.3 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.613 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 pp -101.31 0.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.669 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 68.92 -53.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.812 1.041 . . . . 10.0 113.812 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.643 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 74.2 m-85 -55.65 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.243 0.544 . . . . 10.0 112.142 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.1 -45.91 3.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.14 -57.19 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.356 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.714 -0.66 . . . . 10.0 110.554 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.837 -0.505 . . . . 10.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -102.1 102.09 22.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.7 0.286 . . . . 10.0 110.358 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.91 151.09 24.06 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.391 2.061 . . . . 10.0 112.385 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -64.61 -10.2 23.62 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.928 2.419 . . . . 10.0 112.161 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -76.27 -25.33 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.117 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.14 33.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.577 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.13 128.38 85.16 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.78 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 25.5 Cg_endo -60.51 -22.35 71.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.158 2.572 . . . . 10.0 113.348 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -93.2 -27.65 16.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.857 0.36 . . . . 10.0 110.244 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 tp -69.96 -37.34 75.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.37 -20.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.184 0.516 . . . . 10.0 110.17 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 23.3 mm-40 -77.06 -13.96 59.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.213 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -63.22 -29.97 71.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.277 0.561 . . . . 10.0 109.82 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.42 -42.99 52.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.95 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -28.87 68.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.643 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -61.07 -37.2 81.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.561 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.3 mmm -67.57 -46.09 73.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.02 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.237 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -27.74 68.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 46.3 ttm -82.27 -14.7 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.05 10.83 41.46 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.033 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.93 122.8 44.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.41 0.624 . . . . 10.0 110.97 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -154.87 156.79 36.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -99.58 169.38 9.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 10.0 111.523 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -48.8 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.176 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.47 7.7 68.75 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.594 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.08 44.98 16.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.487 -0.387 . . . . 10.0 113.05 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 39.6 p-90 -95.67 -27.34 15.34 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.815 0.308 . . . . 10.0 111.541 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.77 -39.31 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.007 0.432 . . . . 10.0 110.315 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -61.41 -27.77 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.287 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -83.37 -38.15 22.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.371 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.17 -44.44 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.704 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -16.0 63.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -93.76 -20.63 19.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.717 0.294 . . . . 10.0 110.424 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.409 HG23 ' HB2' ' A' ' 25' ' ' GLU . 1.2 m -100.07 -31.59 11.35 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.862 0.363 . . . . 10.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -106.24 12.85 29.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 70.84 175.03 0.3 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.634 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -86.72 27.78 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.126 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.98 115.72 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.458 . . . . 10.0 110.679 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -65.51 -36.56 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.32 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.24 -54.61 36.44 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.149 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.69 87.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.995 0.426 . . . . 10.0 110.602 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.96 -51.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.153 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.15 -40.75 96.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.247 0.546 . . . . 10.0 111.689 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -67.9 -17.45 64.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.21 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.3 m -63.95 -37.19 86.5 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.923 1.082 . . . . 10.0 113.923 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.27 26.41 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.643 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 mm-40 71.33 -53.88 0.68 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.245 0.618 . . . . 10.0 112.511 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -47.67 110.57 0.33 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.35 0.595 . . . . 10.0 112.05 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -144.15 -69.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.354 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -77.48 -40.14 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.157 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 179.47 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 112.107 -0.397 . . . . 10.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.28 96.43 35.23 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.31 151.5 26.38 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.412 2.075 . . . . 10.0 112.63 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.87 -6.09 18.38 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.379 2.053 . . . . 10.0 111.177 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -84.71 -0.77 54.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.88 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.29 137.04 46.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.357 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.86 128.96 87.32 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.038 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.47 -25.27 75.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.175 2.584 . . . . 10.0 112.698 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 60.8 mtm180 -86.58 -28.36 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 10.0 110.271 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 tp -68.81 -35.84 77.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.726 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -78.34 -14.53 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.484 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 4.0 mm-40 -69.1 -18.68 64.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.026 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -59.98 -29.12 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.1 -43.85 18.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.162 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -36.05 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.673 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.03 -41.73 97.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.12 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 mmt -64.99 -45.41 85.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.035 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.67 -43.05 98.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -74.53 -20.47 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.291 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.57 -10.62 59.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.38 11.42 59.64 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.78 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -102.68 121.66 42.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.842 0.83 . . . . 10.0 110.584 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -157.28 140.02 15.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.566 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -107.98 165.99 11.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' HB ' ' B' ' 35' ' ' THR . 0.0 OUTLIER -116.76 4.19 13.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.558 0.947 . . . . 10.0 113.558 -177.394 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -117.94 -5.73 13.29 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 119.747 -1.216 . . . . 10.0 112.394 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 83.82 28.61 34.41 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.505 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 56.9 p-90 -96.93 -29.61 13.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.2 tp -72.96 -37.31 67.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -66.56 -20.26 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.428 0.632 . . . . 10.0 110.112 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -91.16 -31.1 16.33 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.897 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.112 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.69 -11.14 60.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.267 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -94.88 -34.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.71 12.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -91.21 5.94 47.11 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.391 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 69.85 173.61 0.3 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -82.6 46.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.283 0.564 . . . . 10.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.5 102.03 13.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.387 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.32 -41.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.532 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.34 -50.7 60.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.902 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.23 99.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.913 -0.169 . . . . 10.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.49 79.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.708 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.92 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 10.0 111.471 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -76.92 -8.0 56.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.563 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.5 m -81.79 -24.97 35.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.841 0.312 . . . . 10.0 111.841 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 pt -115.34 18.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.723 -0.391 . . . . 10.0 111.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 71.3 -50.17 0.69 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.302 0.641 . . . . 10.0 112.352 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 84.2 m-85 -62.23 100.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.937 0.399 . . . . 10.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -112.22 -40.64 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.103 0.478 . . . . 10.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -102.15 -70.47 0.75 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.368 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.815 -0.612 . . . . 10.0 109.657 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.806 -0.518 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -93.89 108.13 32.75 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.63 0.252 . . . . 10.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 75.2 Cg_endo -90.39 142.44 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.916 2.41 . . . . 10.0 112.597 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 15.7 Cg_exo -70.3 -4.2 13.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.483 2.122 . . . . 10.0 111.949 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.93 -27.29 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.12 143.69 27.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.72 131.62 89.45 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.563 -0.289 . . . . 10.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.68 -22.8 74.25 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 10.0 112.74 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.99 -15.93 35.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.37 . . . . 10.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.94 -32.27 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 10.0 109.886 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.0 tt -89.67 -8.92 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.72 -23.47 65.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.32 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -31.78 71.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.032 0.444 . . . . 10.0 110.314 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.29 -47.11 52.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.975 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.565 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -60.83 -46.42 90.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.019 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mmm -61.83 -36.64 81.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 10.0 109.887 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.49 -43.25 90.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.118 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -68.02 -22.86 64.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.819 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mmm -81.6 -4.96 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.44 . . . . 10.0 110.3 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.27 28.71 43.47 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.216 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.69 122.85 46.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -141.58 158.45 43.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.78 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.469 ' HB2' ' H ' ' B' ' 28' ' ' TRP . 20.5 p-10 -120.44 116.88 26.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.267 0.556 . . . . 10.0 111.268 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.31 -43.11 58.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.9 8.56 79.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 46.79 79.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.222 -0.513 . . . . 10.0 112.522 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' TRP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 53.7 p-90 -96.45 -24.82 15.93 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.647 -0.325 . . . . 10.0 111.513 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.4 -39.3 32.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.836 0.35 . . . . 10.0 110.738 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -59.14 -26.44 64.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.326 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.46 -30.8 19.14 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.33 0.586 . . . . 10.0 109.882 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.54 -42.23 98.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.253 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -70.37 -15.74 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.429 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -92.87 -19.51 21.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.92 0.391 . . . . 10.0 110.796 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.445 ' HB ' ' OE2' ' A' ' 25' ' ' GLU . 1.3 p -98.41 -38.26 9.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.677 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -105.72 12.41 31.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.173 -0.211 . . . . 10.0 110.993 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.77 176.02 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.874 0.734 . . . . 10.0 111.376 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -85.64 45.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.253 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -100.24 109.43 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.841 0.353 . . . . 10.0 110.197 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -64.8 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.475 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.72 55.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.4 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.24 91.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.605 0.241 . . . . 10.0 111.19 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 -51.64 66.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.99 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.89 -45.06 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.478 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.43 -36.43 78.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 112.017 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.2 m -60.6 -33.83 73.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.004 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 pt -105.1 5.51 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 7.5 mm-40 71.8 -41.34 0.5 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.459 0.704 . . . . 10.0 112.643 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -64.32 83.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.121 0.486 . . . . 10.0 111.286 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -111.44 -24.17 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.497 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -121.11 -63.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.24 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.582 -0.723 . . . . 10.0 109.647 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.155 -0.378 . . . . 10.0 112.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -110.77 104.85 56.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 110.557 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.28 162.13 25.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.629 2.219 . . . . 10.0 111.906 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 -6.46 16.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.76 2.307 . . . . 10.0 111.897 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.86 -8.57 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.039 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.58 131.19 37.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.266 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.74 127.92 93.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.516 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.19 -25.12 76.77 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.014 2.476 . . . . 10.0 113.108 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -86.1 -28.71 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.414 . . . . 10.0 110.213 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 tt -73.05 -26.93 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.57 -13.69 62.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.393 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 m -71.0 -24.95 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.159 0.504 . . . . 10.0 109.857 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.39 -46.81 15.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.129 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.74 74.4 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.042 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -63.27 -37.41 87.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.637 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.9 mmm -66.13 -41.8 89.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.591 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.2 -40.18 95.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.102 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -72.47 -21.4 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.907 0.384 . . . . 10.0 111.293 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 mmm -75.97 -19.95 58.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.47 18.84 8.74 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.271 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.21 123.06 42.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -135.04 154.5 51.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' OD2' ' HA2' ' A' ' 27' ' ' GLY . 5.0 p-10 -121.39 143.53 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.961 0.41 . . . . 10.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -98.23 -49.55 4.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.134 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' H ' ' CD ' ' A' ' 25' ' ' GLU . . . -96.18 -7.48 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.525 ' HA2' ' OD2' ' A' ' 24' ' ' ASP . . . 94.81 29.19 9.38 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.296 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -72.6 -21.31 61.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.36 -0.494 . . . . 10.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.6 tp -62.82 -52.74 61.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -63.71 -29.43 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.563 0.221 . . . . 10.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -72.4 -42.03 65.64 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -33.4 75.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 96.2 mt -71.43 -15.22 62.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -95.41 -20.1 19.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 p -98.56 -42.74 7.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.042 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -104.08 12.99 33.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.478 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' CG ' ' H ' ' A' ' 38' ' ' TYR . 64.2 t30 66.62 -178.05 0.2 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.091 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' H ' ' CG ' ' A' ' 37' ' ' ASN . 82.4 m-85 -88.29 25.4 1.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 10.0 110.177 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.78 97.01 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.271 0.557 . . . . 10.0 110.647 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.7 -40.21 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.984 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.04 -25.07 69.16 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.181 -0.533 . . . . 10.0 112.804 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.79 -43.06 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.628 -0.336 . . . . 10.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.15 93.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.59 -34.26 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.113 0.482 . . . . 10.0 110.747 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.27 -25.81 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.052 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.7 -31.53 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.781 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -108.54 9.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.704 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -47.06 0.66 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -53.78 100.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.099 0.476 . . . . 10.0 112.213 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -111.59 -31.77 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -117.36 -57.69 2.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.481 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 t60 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.471 -0.776 . . . . 10.0 109.769 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.839 -0.504 . . . . 10.0 111.839 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -106.95 101.18 36.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 16.0 Cg_exo -68.24 143.79 60.13 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.556 2.17 . . . . 10.0 111.9 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -63.02 -4.39 6.09 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.013 2.475 . . . . 10.0 112.844 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -87.53 -8.35 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.924 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.19 139.04 30.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.473 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.87 124.94 89.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.22 -19.55 68.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.976 2.45 . . . . 10.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -91.5 -24.53 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.993 0.425 . . . . 10.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.73 -38.05 67.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.135 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.16 -24.39 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 10.0 110.088 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -74.38 -13.63 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.76 -27.63 69.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.271 0.558 . . . . 10.0 109.935 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 -42.69 18.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.219 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -39.66 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.722 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.08 -36.52 72.95 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.566 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.16 -43.33 99.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.807 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.28 -39.25 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.472 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -67.91 -23.46 65.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.107 0.479 . . . . 10.0 110.785 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 77.4 mmm -84.86 -7.74 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.246 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.43 1.68 64.14 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.127 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.4 123.41 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.217 0.532 . . . . 10.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 142.18 24.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -105.24 153.53 21.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.473 0.654 . . . . 10.0 111.553 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -43.97 5.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.2 79.19 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.222 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 38.64 29.2 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 121.303 -0.475 . . . . 10.0 113.083 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -96.55 -15.71 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 10.0 112.789 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.2 tp -70.48 -43.41 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.034 0.445 . . . . 10.0 110.042 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -67.03 -13.11 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.457 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -93.73 -44.18 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.115 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.52 -35.44 75.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.18 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.81 -12.69 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.699 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.29 -43.2 8.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.733 0.302 . . . . 10.0 110.651 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -44.84 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 10.0 112.15 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -95.32 8.36 43.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.656 0.265 . . . . 10.0 111.135 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 69.99 171.39 0.31 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -81.12 38.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.223 0.535 . . . . 10.0 110.742 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.36 90.67 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.923 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.6 mt -53.39 -47.9 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.837 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.67 -37.69 93.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.578 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.944 0.402 . . . . 10.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.69 94.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -33.14 75.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 10.0 110.814 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.0 -20.85 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.202 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.3 m -62.22 -32.15 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.346 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.8 pt -114.58 2.18 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.958 -0.297 . . . . 10.0 111.407 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 68.77 -14.17 0.29 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -77.94 69.97 4.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.191 0.52 . . . . 10.0 110.953 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 -18.48 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.547 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -94.81 -50.2 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.054 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 -179.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.587 -0.605 . . . . 10.0 111.587 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -74.72 124.19 89.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.79 0.295 . . . . 10.0 110.637 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.33 166.52 22.35 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.636 2.224 . . . . 10.0 111.58 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.19 -17.94 22.01 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.732 2.288 . . . . 10.0 112.577 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -70.98 -19.19 62.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.67 132.79 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.6 126.65 92.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.81 -20.32 70.89 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.022 2.481 . . . . 10.0 112.952 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -88.56 -41.43 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.817 0.341 . . . . 10.0 110.692 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.45 -37.61 87.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.201 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -75.41 -22.74 16.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 10.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.05 -13.48 60.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.489 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.16 -29.21 69.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 10.0 109.871 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.07 -47.22 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.73 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -37.81 87.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.616 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -58.88 -40.7 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.981 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mmm -66.01 -40.62 91.26 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.033 0.445 . . . . 10.0 110.158 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.91 -41.37 91.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.415 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -68.81 -14.47 63.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.168 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.9 ttm -90.24 -3.14 58.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.277 0.561 . . . . 10.0 110.02 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.97 57.15 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.994 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -109.34 123.62 49.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.024 0.44 . . . . 10.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 169.39 18.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -120.71 156.28 32.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.144 0.497 . . . . 10.0 111.019 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -49.54 3.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.58 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.88 3.13 84.72 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.914 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.06 47.09 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.558 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 28.8 p-90 -96.49 -25.07 15.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.84 -39.89 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 10.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -64.78 -22.42 66.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.123 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -94.65 -31.76 13.69 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.58 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.94 -40.48 89.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.66 -7.61 51.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.75 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -88.67 -34.17 17.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.699 0.285 . . . . 10.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -98.87 -9.86 23.68 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -126.42 8.92 7.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.633 0.254 . . . . 10.0 110.68 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 69.0 168.11 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.854 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.94 36.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.916 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.18 106.5 14.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.94 0.4 . . . . 10.0 110.186 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.33 -39.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.539 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.72 -55.6 26.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.189 -0.529 . . . . 10.0 112.534 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.53 79.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.345 0.117 . . . . 10.0 110.992 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.24 74.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.67 -33.28 74.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.971 0.415 . . . . 10.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.2 -31.54 67.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.762 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -61.22 -33.03 72.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.663 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 pt -106.71 6.51 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.761 -0.376 . . . . 10.0 111.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 3.8 mm-40 69.5 -38.58 0.41 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.38 79.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 10.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -100.24 -19.4 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -114.1 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.858 0.361 . . . . 10.0 110.458 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.511 -0.635 . . . . 10.0 111.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -107.32 98.36 22.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.794 0.33 . . . . 10.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -81.0 169.92 15.76 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.799 2.332 . . . . 10.0 112.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.16 -12.02 21.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.868 2.379 . . . . 10.0 112.176 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -70.27 -25.08 63.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.367 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.737 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.04 129.09 89.85 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.93 -25.2 74.16 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.706 2.271 . . . . 10.0 112.74 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -87.07 -24.49 24.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 10.0 110.248 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.12 -42.34 60.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.076 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -71.36 -24.21 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.432 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.64 -15.33 63.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -68.13 -28.07 66.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.21 0.529 . . . . 10.0 109.991 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.59 -48.22 23.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.282 0.563 . . . . 10.0 109.508 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -29.05 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.5 -44.91 93.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.264 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.0 mmm -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.928 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.01 -39.09 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.706 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -68.85 -23.99 64.3 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 111.355 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 80.4 mmm -83.49 -10.14 58.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.99 25.45 11.33 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.976 -0.63 . . . . 10.0 112.186 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.99 123.56 48.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 10.0 110.752 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.01 145.09 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.87 178.18 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.8 -0.36 . . . . 10.0 111.447 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -104.77 -60.78 1.55 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.55 -15.32 61.53 Favored Glycine 0 N--CA 1.463 0.444 0 N-CA-C 114.828 0.691 . . . . 10.0 114.828 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 38.52 4.77 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.281 -0.728 . . . . 10.0 111.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 42.5 p-90 -95.2 -23.66 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.001 -0.28 . . . . 10.0 111.696 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.8 -44.65 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -70.55 -16.27 62.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.303 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -90.65 -41.0 11.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.202 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.53 -35.07 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.2 -8.51 55.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.615 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -94.42 -39.16 10.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 10.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -86.03 -31.21 22.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.182 -0.463 . . . . 10.0 112.128 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -111.25 11.63 21.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.481 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.0 t30 70.32 168.74 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.76 0.662 . . . . 10.0 111.571 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.31 35.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.863 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -82.96 108.83 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 14.0 mt -61.65 -34.41 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.12 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.62 62.22 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.907 -0.664 . . . . 10.0 111.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.09 77.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.622 0.248 . . . . 10.0 111.045 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.42 58.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.81 -33.88 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.029 0.442 . . . . 10.0 111.192 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.58 -38.1 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.253 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -54.18 -39.9 67.06 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.14 9.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.36 -40.27 0.47 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.697 . . . . 10.0 112.754 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.426 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 87.4 m-85 -60.28 99.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 10.0 111.042 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -119.93 -42.75 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -78.59 -69.84 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.727 -0.654 . . . . 10.0 109.618 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.004 -0.438 . . . . 10.0 112.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -93.49 112.29 55.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.736 0.303 . . . . 10.0 110.194 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.31 148.27 23.75 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.629 2.219 . . . . 10.0 112.562 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.03 -10.44 28.88 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.686 2.258 . . . . 10.0 111.885 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -85.05 -5.08 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.488 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 141.44 28.63 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.178 -0.465 . . . . 10.0 109.814 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.41 118.72 66.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 121.098 -0.241 . . . . 10.0 110.763 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.21 -22.69 58.24 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.139 2.559 . . . . 10.0 112.984 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -87.66 -39.98 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 10.0 110.658 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.47 -41.81 92.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.1 tt -68.99 -18.99 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 10.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.35 -13.63 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.365 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.47 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.7 m -61.57 -31.84 71.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 10.0 110.233 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.21 -44.34 53.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.989 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -36.87 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -60.36 -36.64 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.325 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' A' ' 13' ' ' SER . 87.0 mmm -64.58 -36.13 83.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 10.0 110.136 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.67 -43.97 91.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.44 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -26.63 66.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 10.0 110.58 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 ttm -75.64 -18.34 59.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.613 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.72 11.44 40.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.394 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.42 123.34 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 10.0 110.013 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.55 137.61 26.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.214 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -114.85 121.71 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.213 0.53 . . . . 10.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -42.95 16.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.759 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.07 2.37 81.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.496 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.23 39.19 71.89 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.129 -0.558 . . . . 10.0 112.046 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 54.3 p-90 -91.22 -34.01 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.898 0.332 . . . . 10.0 111.898 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 tp -71.78 -36.07 70.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.766 0.317 . . . . 10.0 110.264 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -21.56 64.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.245 0.545 . . . . 10.0 110.478 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -93.99 -35.08 12.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.759 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.06 -37.88 86.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.65 -12.13 59.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -95.57 -36.28 11.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.346 . . . . 10.0 110.996 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -84.29 -43.25 15.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.762 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 11.07 36.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.688 0.28 . . . . 10.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 67.26 177.53 0.24 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.042 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -87.16 36.86 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.854 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.55 102.26 15.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.88 -35.94 63.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.368 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.34 75.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.283 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.43 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.734 0.302 . . . . 10.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.76 75.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.818 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.0 -40.56 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.94 -31.28 72.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -34.8 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.0 pt -109.48 5.12 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.576 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.43 -44.41 0.54 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.847 0.859 . . . . 10.0 112.976 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -50.65 112.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 10.0 112.08 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -30.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.715 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -107.19 -55.09 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.699 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.737 -0.649 . . . . 10.0 109.797 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.501 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.628 -0.589 . . . . 10.0 111.628 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -94.45 104.03 12.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 4.4 Cg_exo -76.6 139.15 20.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.63 2.22 . . . . 10.0 111.973 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -64.08 -11.16 26.12 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.618 2.212 . . . . 10.0 112.623 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.53 -16.08 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.153 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.04 159.81 23.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.398 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -74.87 117.62 64.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.018 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.52 -15.12 46.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.72 2.28 . . . . 10.0 113.359 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -93.71 -38.12 11.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 10.0 110.335 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.91 -35.37 80.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.129 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 tt -69.33 -16.83 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.53 -12.8 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.356 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 6.5 m -60.24 -33.51 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 10.0 110.278 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.23 -42.9 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.729 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -38.23 89.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.446 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.66 -39.75 89.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 88.7 mmm -66.31 -37.6 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.124 0.488 . . . . 10.0 110.044 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.626 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -69.26 -13.33 62.33 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.3 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.7 ttm -82.87 -9.34 59.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 10.0 109.635 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.3 23.36 27.07 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.301 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -122.27 122.12 38.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.431 0.634 . . . . 10.0 110.256 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -146.56 140.74 26.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.882 -1.053 . . . . 10.0 108.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.47 140.82 29.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.347 0.594 . . . . 10.0 111.307 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.95 -38.34 9.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.641 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.74 10.43 72.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.923 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.98 37.84 93.58 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 121.298 -0.477 . . . . 10.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.491 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 62.0 p-90 -96.3 -26.0 15.55 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 tp -73.75 -37.36 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 10.0 110.132 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -65.18 -20.17 66.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.103 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -89.51 -28.44 19.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.635 0.731 . . . . 10.0 109.059 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.95 -42.69 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.62 -13.04 62.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.505 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -93.31 -26.1 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.891 0.377 . . . . 10.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -99.43 -25.8 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 10.0 112.129 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.05 14.85 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 10.0 111.104 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.65 166.91 0.24 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.537 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -81.25 54.94 2.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 106.89 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.44 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.7 mt -57.09 -49.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.35 -46.06 93.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.573 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.641 0.258 . . . . 10.0 110.962 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.01 90.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.092 0.472 . . . . 10.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.55 -34.59 78.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.859 0.362 . . . . 10.0 111.845 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.8 m -65.74 -35.59 81.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.272 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 pt -103.07 -10.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 65.57 -7.22 0.35 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -78.86 87.28 4.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.953 0.406 . . . . 10.0 110.216 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 -20.22 5.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mppt? -118.99 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.751 -0.642 . . . . 10.0 109.574 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -98.75 109.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.969 0.385 . . . . 10.0 110.498 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 57.7 Cg_endo -72.31 147.49 47.46 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.414 2.076 . . . . 10.0 112.247 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -63.77 -15.1 46.89 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.832 2.355 . . . . 10.0 112.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.39 -2.69 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.011 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.62 122.94 31.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.63 125.2 84.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 29.1 Cg_endo -62.17 -19.0 65.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.072 2.515 . . . . 10.0 113.52 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 58.6 mtm180 -93.86 -32.55 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.045 0.45 . . . . 10.0 110.128 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.05 -34.33 77.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.151 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.13 -14.65 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.28 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 13.3 mm-40 -71.33 -17.24 62.45 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.993 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -58.17 -32.86 68.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.051 0.453 . . . . 10.0 110.663 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.63 -44.98 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.943 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -37.58 86.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.796 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -57.24 -46.2 83.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.026 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.1 mmm -64.06 -43.08 96.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 10.0 110.243 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.07 -50.31 72.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.765 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -64.3 -25.56 68.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.358 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.47 ' SD ' HD13 ' A' ' 44' ' ' LEU . 48.7 ttm -77.07 -16.82 59.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.374 0.607 . . . . 10.0 110.143 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.03 13.74 33.02 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.362 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.175 0.512 . . . . 10.0 109.666 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -160.94 126.19 3.73 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.263 -0.88 . . . . 10.0 108.933 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.36 173.61 6.23 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.802 -0.359 . . . . 10.0 110.646 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.6 6.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.36 -16.63 80.25 Favored Glycine 0 C--O 1.234 0.109 0 C-N-CA 120.679 -0.772 . . . . 10.0 113.319 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.88 31.28 8.73 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 111.379 -0.689 . . . . 10.0 111.379 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -91.89 -31.91 15.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.45 -35.45 70.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 10.0 109.89 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -68.43 -17.94 64.32 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.436 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -94.11 -36.68 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 3.8 tp -58.14 -39.73 79.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.912 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.98 -10.09 50.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.835 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.44 -54.94 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.993 0.425 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -34.23 56.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.387 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 3.6 mptp? -95.95 4.72 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.207 -0.197 . . . . 10.0 111.018 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 73.49 163.53 0.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.952 0.782 . . . . 10.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.72 36.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.42 101.36 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 10.0 109.851 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.42 -42.47 80.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -48.43 84.21 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.128 -0.558 . . . . 10.0 112.227 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 10.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.88 91.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 10.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 HD13 ' SD ' ' A' ' 20' ' ' MET . 4.4 mp -59.84 -41.14 90.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.599 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.45 -21.26 58.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.345 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.4 m -63.46 -34.25 77.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.278 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 24.0 pt -110.72 17.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 34.2 mm-40 70.5 -51.2 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.18 105.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 10.0 111.163 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 m -130.36 -27.62 2.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.735 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -100.99 -49.91 3.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.73 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.907 -0.568 . . . . 10.0 109.595 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.445 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.679 -0.568 . . . . 10.0 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.66 111.12 18.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.766 0.317 . . . . 10.0 110.703 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 88.3 Cg_endo -89.13 163.08 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.752 2.301 . . . . 10.0 112.103 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.27 -2.2 6.69 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.914 2.409 . . . . 10.0 112.392 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -81.07 -14.35 57.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.966 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.78 146.38 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.342 . . . . 10.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -77.4 129.9 76.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.489 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.82 -22.52 74.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.24 2.626 . . . . 10.0 113.548 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -89.86 -35.33 15.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 10.0 110.181 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.04 -39.34 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 tt -77.02 -7.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.152 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.41 -16.47 45.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.777 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -61.55 -27.93 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.907 0.384 . . . . 10.0 110.686 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.02 -49.4 24.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.382 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -33.8 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -60.44 -45.84 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.726 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.3 mmm -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.43 -45.91 85.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.439 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -26.65 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 33.0 ttm -71.48 -21.53 61.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.75 10.6 26.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.88 123.15 47.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 10.0 110.178 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -149.76 141.73 23.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.739 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -102.88 148.8 25.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.465 0.65 . . . . 10.0 111.411 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 -40.81 4.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.889 -1.05 . . . . 10.0 109.782 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.6 -4.34 89.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.369 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 31' ' ' ARG . . . 79.44 36.95 25.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.504 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -95.75 -25.05 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.672 0.272 . . . . 10.0 111.587 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -84.21 -37.59 21.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.054 0.454 . . . . 10.0 110.196 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -65.73 -26.84 67.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.424 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 27' ' ' GLY . 5.4 mtm180 -90.09 -16.89 28.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.316 0.579 . . . . 10.0 109.618 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.21 -40.16 74.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.993 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.89 -13.55 62.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.757 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -90.76 -24.24 20.42 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.419 ' CB ' ' HZ3' ' B' ' 36' ' ' LYS . 3.7 p -100.77 -40.98 7.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.419 ' HZ3' ' CB ' ' B' ' 35' ' ' THR . 2.0 mptp? -101.11 19.61 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.571 0.224 . . . . 10.0 111.097 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.64 179.74 0.23 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.463 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -96.16 30.34 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.67 111.06 20.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 110.755 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.44 -43.15 93.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.488 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.19 -55.76 27.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.218 -0.515 . . . . 10.0 112.701 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.38 90.98 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.064 0.459 . . . . 10.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.51 -24.22 60.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.279 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -60.49 -33.27 72.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 10.0 112.01 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 pt -104.61 1.09 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.94 19.48 10.74 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.48 24.7 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.388 0.613 . . . . 10.0 109.629 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -27.28 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.477 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -82.1 -49.39 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.131 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.195 -0.907 . . . . 10.0 110.625 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.966 -0.454 . . . . 10.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.34 109.93 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.619 0.209 . . . . 10.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 1' ' ' GLY . 93.9 Cg_endo -88.65 157.14 6.31 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.843 2.362 . . . . 10.0 112.415 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.47 -15.53 41.71 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.946 2.431 . . . . 10.0 112.236 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -74.04 -18.61 60.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.05 143.34 34.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.9 122.19 86.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.628 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.02 -20.65 72.05 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.814 2.343 . . . . 10.0 112.846 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -89.65 -31.73 17.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.391 . . . . 10.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -67.76 -39.43 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -71.55 -21.27 21.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.003 0.43 . . . . 10.0 110.423 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.72 -13.74 61.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.37 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -66.46 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.047 0.451 . . . . 10.0 110.596 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.71 -44.34 56.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.57 69.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.325 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -59.2 -48.21 82.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.449 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.56 -42.43 95.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.199 0.523 . . . . 10.0 110.05 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.94 -40.46 93.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.845 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -74.46 -26.97 60.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.0 ttm -75.56 -14.01 60.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.468 0.652 . . . . 10.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.49 4.87 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.974 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -137.12 123.23 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -147.79 170.86 16.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.095 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -114.92 159.36 20.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.335 0.588 . . . . 10.0 110.545 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -46.93 3.44 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.642 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.86 2.91 82.66 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.879 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 42.86 25.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.598 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.553 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 69.4 p-90 -95.86 -28.41 14.73 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.639 -0.33 . . . . 10.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -72.8 -36.64 67.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.021 0.439 . . . . 10.0 110.11 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.373 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -90.4 -30.35 17.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.83 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.79 -43.66 98.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.55 -7.45 20.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.77 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -92.86 -40.74 10.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.288 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.0 p -98.39 -4.6 34.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 10.0 111.96 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.91 6.06 9.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 69.53 169.32 0.3 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -85.89 41.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.016 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.23 112.33 24.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.185 0.517 . . . . 10.0 110.72 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.63 -49.2 85.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.623 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.43 -47.65 81.69 Favored Glycine 0 C--N 1.329 0.19 0 CA-C-N 116.006 -0.543 . . . . 10.0 112.954 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.68 92.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.7 0.286 . . . . 10.0 111.518 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.04 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.803 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.75 -36.13 82.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.416 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.14 -24.46 54.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.176 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 m -66.23 -31.42 72.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.527 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 42.9 pt -104.37 4.29 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.636 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.543 ' HG2' ' CE2' ' B' ' 49' ' ' TYR . 16.1 mm-40 71.95 -43.37 0.56 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.266 0.626 . . . . 10.0 112.454 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -69.09 90.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 10.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -116.58 -14.88 10.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.384 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -101.68 -50.75 3.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 10.0 110.488 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.619 -0.705 . . . . 10.0 109.771 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.91 106.43 40.9 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.799 0.333 . . . . 10.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.5 156.51 21.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.572 2.181 . . . . 10.0 111.503 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.42 -0.17 5.49 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.797 2.332 . . . . 10.0 112.767 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -80.05 -20.18 45.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.175 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 141.02 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.187 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.21 122.21 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.476 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 29.8 Cg_endo -63.66 -17.27 59.24 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.92 2.413 . . . . 10.0 113.892 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 66.9 mtm180 -92.8 -30.76 15.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.779 0.323 . . . . 10.0 110.313 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.67 -38.31 86.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.049 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 tt -72.31 -16.91 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.615 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 9' ' ' ARG . 60.0 mm-40 -73.07 -25.22 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -61.97 -33.02 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.811 0.339 . . . . 10.0 111.222 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.27 -42.78 62.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -28.05 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.957 0.408 . . . . 10.0 110.376 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -63.82 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.5 mmm -62.36 -42.24 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.45 -40.55 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.438 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -32.59 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.16 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 34.9 ttm -69.11 -29.09 67.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.373 0.606 . . . . 10.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.79 25.96 4.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.408 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.89 121.71 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -172.92 126.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.9 178.79 4.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.683 0.278 . . . . 10.0 111.11 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -44.67 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.727 -178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.51 63.99 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.333 -0.46 . . . . 10.0 113.043 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' B' ' 31' ' ' ARG . . . 98.36 21.69 16.63 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.553 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 8.2 p-90 -74.83 -30.75 61.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.555 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.57 -40.73 73.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 10.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.3 t -69.61 -18.99 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 10.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' B' ' 27' ' ' GLY . 28.2 mmm180 -88.0 -37.93 15.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.09 -36.49 81.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.97 -8.58 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.677 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -95.24 -47.7 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.986 -0.285 . . . . 10.0 111.118 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -79.81 -31.25 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 10.0 111.808 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -100.37 6.19 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.851 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.28 -177.92 0.22 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.518 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.62 34.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.304 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.79 103.51 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.188 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.33 -45.88 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.62 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -44.57 96.37 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.163 -0.541 . . . . 10.0 112.93 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.85 72.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 10.0 111.551 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.97 78.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.69 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.59 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -83.01 -7.24 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.641 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -65.63 -38.42 89.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.753 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 pt -115.77 17.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.798 -0.361 . . . . 10.0 111.933 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 73.49 -42.16 0.51 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.171 0.588 . . . . 10.0 112.025 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.543 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 93.5 m-85 -57.32 97.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 10.0 111.266 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.59 -39.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.12 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -84.6 -59.24 2.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.668 -0.682 . . . . 10.0 110.653 -179.498 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.85 -0.5 . . . . 10.0 111.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.01 119.58 54.98 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.542 0.171 . . . . 10.0 110.621 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.13 144.98 27.26 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.072 1.848 . . . . 10.0 111.631 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.16 -20.32 23.9 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.324 2.682 . . . . 10.0 113.178 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.87 -23.51 60.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.801 0.334 . . . . 10.0 111.017 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 137.17 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.07 120.2 67.65 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 37.4 Cg_endo -66.21 -17.37 54.41 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.894 2.396 . . . . 10.0 112.73 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -92.87 -38.42 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.994 0.426 . . . . 10.0 110.182 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.0 -36.54 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.32 -16.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 10.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 mm-40 -78.21 -13.19 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.281 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -62.37 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.46 -46.19 41.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.932 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -59.25 -40.51 86.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.8 mmm -64.64 -42.71 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.368 0.604 . . . . 10.0 109.689 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.11 -44.41 96.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.37 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 m -65.03 -28.1 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.803 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.9 mtm -79.17 -6.01 55.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.674 0.274 . . . . 10.0 111.109 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.12 15.97 36.91 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -103.19 122.45 44.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.256 0.55 . . . . 10.0 110.429 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -155.76 144.9 20.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.67 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 29' ' ' LEU . 7.8 p30 -95.05 153.2 17.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.309 0.576 . . . . 10.0 111.478 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.22 6.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.544 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.01 61.4 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.507 -0.77 . . . . 10.0 111.914 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.84 45.42 8.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.978 -0.63 . . . . 10.0 112.308 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 31.4 p-90 -95.45 -30.53 13.83 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.841 -0.211 . . . . 10.0 111.36 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 22.5 tp -71.99 -38.48 69.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.593 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -63.47 -19.22 64.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.603 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -93.05 -33.53 14.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.19 0.519 . . . . 10.0 109.908 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.0 -38.06 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.725 -0.671 . . . . 10.0 111.049 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.47 -16.33 63.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -94.33 -17.96 22.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.798 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.92 -40.0 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 10.0 112.119 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -109.27 16.71 22.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.646 0.26 . . . . 10.0 111.129 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 68.69 175.26 0.28 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.55 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.56 26.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.674 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.57 110.13 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.039 0.447 . . . . 10.0 110.444 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.94 -42.18 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.127 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.94 73.07 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.619 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.45 84.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.268 . . . . 10.0 111.237 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.83 95.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.417 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' HA ' ' A' ' 50' ' ' SER . 8.1 tp -71.18 -28.86 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.071 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -20.18 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -56.84 -35.96 69.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.073 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 HD12 ' H ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -111.21 12.77 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -178.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.658 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.4 mm-40 69.49 -30.31 0.19 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' A' ' 47' ' ' ILE . 65.8 m-85 -70.79 74.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.126 0.489 . . . . 10.0 111.066 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.468 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 3.6 m -104.13 -2.81 25.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.741 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -122.2 -62.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.133 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.558 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.509 -0.637 . . . . 10.0 111.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.8 98.16 23.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 151.04 25.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.446 2.097 . . . . 10.0 112.361 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.76 -5.88 15.46 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.824 2.349 . . . . 10.0 112.195 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -75.27 -22.55 57.72 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.888 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.94 151.79 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.148 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.36 131.27 59.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 36.6 Cg_endo -64.75 -20.19 64.82 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.179 2.586 . . . . 10.0 113.176 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -93.68 -37.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.35 -42.0 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.71 -17.04 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 10.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 10.6 mm-40 -73.28 -12.5 60.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' B' ' 17' ' ' MET . 14.4 m -55.46 -32.16 62.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 10.0 110.625 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.11 -41.1 67.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.59 70.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -60.52 -44.5 95.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.501 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.528 ' HG2' ' O ' ' B' ' 13' ' ' SER . 92.9 mmm -64.43 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.341 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.88 -46.02 86.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.44 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 16.2 t -70.4 -19.16 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ttm -81.93 -12.03 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.173 0.511 . . . . 10.0 110.472 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 11.9 40.52 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.64 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.15 124.29 42.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.726 0.298 . . . . 10.0 110.299 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -150.56 148.81 29.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.156 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -110.96 137.74 48.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.046 0.451 . . . . 10.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 -22.89 25.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.695 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 21.95 7.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.493 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.31 42.86 99.89 Favored Glycine 0 C--O 1.23 -0.126 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 45.1 p-90 -96.04 -26.78 15.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 10.0 111.164 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.42 -38.32 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.22 68.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.405 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -83.61 -35.84 24.34 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.827 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.08 -35.91 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.39 -8.26 54.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -94.84 -46.16 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.954 0.407 . . . . 10.0 110.084 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -77.91 -40.68 39.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.006 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -101.56 9.76 40.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.612 0.244 . . . . 10.0 111.019 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 69.45 178.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.645 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -92.27 35.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.35 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.87 106.53 17.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -56.61 -46.43 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.852 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.13 53.54 Favored Glycine 0 N--CA 1.454 -0.106 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.675 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.66 95.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.986 0.422 . . . . 10.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.78 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.95 -42.23 94.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.164 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.14 -28.4 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -59.48 -38.12 80.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.492 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 pt -101.19 4.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? 71.34 -51.25 0.69 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.892 0.877 . . . . 10.0 112.171 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.658 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 87.8 m-85 -54.21 100.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.987 0.423 . . . . 10.0 111.453 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -116.1 -35.27 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -94.34 -69.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.306 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.554 -0.736 . . . . 10.0 110.049 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -85.63 112.82 47.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.626 0.213 . . . . 10.0 110.918 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.75 161.54 41.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.714 2.276 . . . . 10.0 112.158 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.43 -4.9 10.29 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.095 2.53 . . . . 10.0 112.801 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.07 -21.43 43.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.581 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.29 133.7 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.418 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.4 125.9 92.14 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.007 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.44 -22.37 74.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 114.04 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -93.36 -40.58 10.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.687 0.28 . . . . 10.0 110.861 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.73 -41.67 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.363 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.74 -23.71 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.052 0.453 . . . . 10.0 111.443 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.08 -12.04 61.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.669 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -56.19 -33.93 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 10.0 110.52 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.71 -44.9 63.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -37.44 87.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.498 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -62.53 -44.31 96.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.6 mmm -63.56 -41.8 98.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.45 -40.03 93.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.268 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -74.39 -17.41 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.047 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.481 ' SD ' HD11 ' A' ' 44' ' ' LEU . 49.9 ttm -84.96 -8.6 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.048 0.452 . . . . 10.0 110.172 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.26 11.59 36.0 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.652 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.12 124.5 41.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 m -146.99 143.33 28.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.062 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' OD1' ' HA2' ' A' ' 27' ' ' GLY . 3.9 p30 -101.73 158.23 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.36 0.6 . . . . 10.0 111.646 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -47.0 2.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.023 -0.99 . . . . 10.0 108.997 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.53 5.89 77.43 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.864 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA2' ' OD1' ' A' ' 24' ' ' ASP . . . 77.42 40.78 22.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.536 -0.364 . . . . 10.0 112.975 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p-90 -95.99 -24.05 16.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.767 0.654 . . . . 10.0 112.767 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.39 -41.9 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 10.0 110.612 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -69.52 -12.71 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -94.15 -39.09 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.59 -38.48 81.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.692 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.14 -9.39 58.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -96.2 -46.08 6.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.891 0.377 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -76.21 -36.98 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.232 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -110.8 17.48 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.685 0.279 . . . . 10.0 111.749 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 t30 69.03 171.83 0.3 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.675 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.73 33.28 0.47 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.57 105.43 13.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.896 0.379 . . . . 10.0 110.411 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.8 -45.54 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.278 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.56 -41.47 98.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.666 0.27 . . . . 10.0 110.885 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.59 96.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 20' ' ' MET . 6.5 mp -64.06 -41.93 97.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.61 -21.35 61.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.541 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -59.6 -37.72 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.448 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 pt -111.72 7.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.314 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.486 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 50.4 mm-40 71.94 -39.02 0.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.695 0.798 . . . . 10.0 113.004 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -57.15 97.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.224 0.535 . . . . 10.0 111.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -34.45 6.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.852 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -121.53 -64.92 1.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.069 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.13 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.57 -0.612 . . . . 10.0 111.57 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.76 105.31 20.23 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.294 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 86.0 Cg_endo -86.93 148.75 8.24 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.576 2.184 . . . . 10.0 112.385 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.12 -4.95 9.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.699 2.266 . . . . 10.0 112.128 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.12 -17.6 56.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.201 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.57 136.71 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.262 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.97 131.0 91.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.575 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 22.7 Cg_endo -60.71 -21.84 71.03 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.969 2.446 . . . . 10.0 113.054 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -93.33 -28.07 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.746 0.308 . . . . 10.0 110.412 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.29 -40.09 77.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 10.0 110.528 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.03 -19.63 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 10.0 111.204 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.423 ' HA ' ' OE1' ' B' ' 12' ' ' GLU . 4.5 mm-40 -71.63 -12.9 61.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.646 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.2 m -56.74 -36.4 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 10.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.76 -46.5 62.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.904 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -38.84 90.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.236 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.68 -46.11 91.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -64.83 -39.76 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -47.11 87.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.44 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -68.82 -21.47 64.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.078 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.9 ttm -79.49 -6.34 56.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.26 12.61 54.29 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.508 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -96.43 122.78 39.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.162 0.506 . . . . 10.0 110.683 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -153.87 131.6 11.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.116 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -87.42 156.3 19.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.094 0.473 . . . . 10.0 111.606 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -28.61 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.18 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.01 12.8 17.16 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.872 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 38.99 57.73 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.928 -0.653 . . . . 10.0 113.218 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -96.64 -19.52 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 tp -70.57 -36.54 73.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -69.04 -14.59 63.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.145 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.45 -35.94 13.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.456 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -37.72 79.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.792 . . . . 10.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.91 -9.19 54.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.346 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -94.05 -39.41 10.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.881 0.372 . . . . 10.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -89.41 -39.22 13.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 10.0 112.091 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 11.23 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.134 -0.226 . . . . 10.0 110.927 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.8 t30 69.73 170.37 0.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.852 0.72 . . . . 10.0 111.231 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -84.9 34.78 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -90.27 110.51 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.064 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.5 -42.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.224 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -49.39 79.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.38 95.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.803 0.335 . . . . 10.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.81 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.395 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.54 -39.62 94.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 10.0 111.227 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.04 -6.44 52.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.733 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.0 m -70.02 -34.38 73.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.4 pt -114.01 15.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 71.07 -37.52 0.4 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.916 0.71 . . . . 10.0 112.916 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 98.6 m-85 -63.6 88.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 10.0 110.791 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -115.07 -51.1 2.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.462 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -74.06 -39.51 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.082 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.606 -0.711 . . . . 10.0 109.944 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.672 -0.571 . . . . 10.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 4.3 m -91.83 109.12 34.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.607 0.203 . . . . 10.0 110.649 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 2' ' ' SER . 6.0 Cg_exo -77.72 163.28 29.21 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.0 2.466 . . . . 10.0 111.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.62 -17.52 60.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.716 2.277 . . . . 10.0 112.0 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.51 -17.17 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.97 127.88 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.254 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 11.2 t70 -63.21 120.81 65.02 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.68 -17.92 61.02 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.912 2.408 . . . . 10.0 113.119 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -93.28 -40.16 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 30.7 tp -68.88 -37.3 78.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.236 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 tt -67.47 -22.17 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.085 0.469 . . . . 10.0 110.999 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.12 -13.11 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.717 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.3 m -60.11 -35.64 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 10.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.78 -48.91 62.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.019 0.437 . . . . 10.0 110.25 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -33.43 76.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -58.95 -46.42 88.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.159 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.13 -42.1 99.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.783 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.415 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -68.48 -26.52 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mmm -78.86 -2.94 42.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.815 0.341 . . . . 10.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.97 57.69 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.089 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.72 124.71 45.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.029 0.442 . . . . 10.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -147.41 160.25 42.78 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.428 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -117.64 147.97 42.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.474 0.654 . . . . 10.0 111.141 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 -44.74 5.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.13 -0.941 . . . . 10.0 109.251 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.09 -4.9 68.4 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.121 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.87 39.7 9.28 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.877 -0.677 . . . . 10.0 112.728 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.1 p-90 -96.29 -15.02 22.18 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.779 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.19 -43.37 74.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.916 0.388 . . . . 10.0 109.969 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -65.73 -25.41 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.499 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -82.64 -33.26 27.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.944 0.402 . . . . 10.0 109.922 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.88 -40.42 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.395 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.24 -13.22 62.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.559 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -94.17 -30.69 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.884 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 -44.51 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -99.27 13.37 33.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.95 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 69.98 173.14 0.3 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.72 34.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.017 0.437 . . . . 10.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.94 104.28 15.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.67 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -57.74 -46.04 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.353 -0.84 . . . . 10.0 111.398 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.4 94.02 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.106 -0.569 . . . . 10.0 112.95 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.14 -44.2 63.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 10.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.02 93.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.086 0.47 . . . . 10.0 111.945 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.9 -9.7 59.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.338 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.9 m -65.43 -33.98 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 pt -111.03 17.64 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.743 0.645 . . . . 10.0 112.743 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.623 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.5 mm-40 68.54 -41.6 0.46 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.553 0.946 . . . . 10.0 113.553 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 75.6 m-85 -64.87 84.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.076 0.465 . . . . 10.0 112.015 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.66 -15.16 13.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.424 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -110.87 -73.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.977 -0.449 . . . . 10.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -101.39 104.45 33.71 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 10.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -86.16 157.21 9.78 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.545 2.163 . . . . 10.0 112.526 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.2 -12.29 34.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.784 2.322 . . . . 10.0 111.922 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -79.94 -15.16 57.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.858 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.72 140.66 31.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.693 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 10.3 t0 -65.75 122.0 78.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.489 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.56 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 37.7 Cg_endo -65.09 -21.62 62.81 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.069 2.513 . . . . 10.0 113.602 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -93.99 -40.89 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.779 0.324 . . . . 10.0 110.584 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 20.1 tp -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.34 -16.49 20.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.057 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 48.2 mm-40 -77.26 -12.54 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.855 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -53.98 -34.0 58.56 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.68 0.276 . . . . 10.0 111.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.0 -45.27 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.743 0.306 . . . . 10.0 110.686 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -37.19 85.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.555 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.82 -44.0 90.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.61 -40.43 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -63.31 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.151 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -22.25 62.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.125 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 42.0 ttm -75.72 -13.01 60.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.255 0.55 . . . . 10.0 110.361 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.6 20.38 15.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.099 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -106.44 125.8 51.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -142.9 137.57 29.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.85 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.95 146.9 45.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.017 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.01 16.34 10.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.89 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 4.51 9.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 27.7 72.64 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 111.445 -0.662 . . . . 10.0 111.445 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 30.4 p-90 -96.88 -19.25 18.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.61 -43.13 73.39 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' B' ' 34' ' ' GLN . 7.6 t -63.79 -21.73 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.628 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -93.3 -27.51 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.262 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.414 HD11 ' HZ2' ' B' ' 36' ' ' LYS . 16.9 tp -63.96 -40.64 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.728 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.68 -9.29 58.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.942 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 30' ' ' THR . 35.1 mm-40 -95.35 -38.95 10.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.954 0.407 . . . . 10.0 110.401 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -78.6 -44.36 24.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.858 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.414 ' HZ2' HD11 ' B' ' 32' ' ' LEU . 14.0 mttp -105.23 15.48 27.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.905 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.411 ' CG ' ' H ' ' B' ' 38' ' ' TYR . 35.3 t30 64.55 -175.76 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.375 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . 0.411 ' H ' ' CG ' ' B' ' 37' ' ' ASN . 63.8 m-85 -86.76 35.07 0.67 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.077 0.465 . . . . 10.0 110.858 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.01 95.61 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.56 -41.16 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.566 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.19 -47.65 89.77 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.95 93.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.703 0.287 . . . . 10.0 111.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.71 93.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.402 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.24 -38.32 90.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 10.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.9 -29.75 67.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -56.53 -41.83 77.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.174 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 pt -103.64 1.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 13.5 mm-40 70.85 -42.82 0.54 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.575 0.75 . . . . 10.0 112.798 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . 0.623 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 60.0 m-85 -61.27 93.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 111.266 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -15.02 4.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.421 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -131.85 11.68 4.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.578 0.228 . . . . 10.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.696 -0.668 . . . . 10.0 109.383 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.653 -0.579 . . . . 10.0 111.653 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -89.81 109.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.52 159.13 16.89 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.381 2.054 . . . . 10.0 112.226 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.29 -12.98 33.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.781 2.321 . . . . 10.0 111.75 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.62 -22.04 54.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.706 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.73 137.47 38.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.41 126.5 86.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 36.0 Cg_endo -64.33 -19.03 65.2 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.863 2.375 . . . . 10.0 112.87 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -92.27 -28.12 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.776 0.322 . . . . 10.0 111.259 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.4 -28.16 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 10.0 110.68 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -77.89 -23.34 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.299 0.571 . . . . 10.0 110.476 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 35.4 mm-40 -78.76 -13.31 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.652 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -60.4 -30.23 69.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.156 0.503 . . . . 10.0 109.865 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.57 -48.01 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.671 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -32.28 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.5 -44.2 89.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.526 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mmm -65.33 -39.78 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.124 0.488 . . . . 10.0 109.959 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.91 -43.58 95.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.357 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t -67.66 -31.71 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.192 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -67.64 -29.81 69.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.331 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.52 19.81 6.44 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -110.6 123.37 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.457 . . . . 10.0 110.304 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -152.65 153.66 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.379 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.16 156.97 17.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.016 0.436 . . . . 10.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HB2' HG23 ' B' ' 35' ' ' THR . 0.0 OUTLIER -110.41 -28.26 8.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.728 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 6.96 48.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.24 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 37.68 56.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.315 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 67.5 p-90 -96.58 -34.73 11.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.45 -39.37 85.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 10.0 110.067 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -63.1 -14.42 48.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.103 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -94.51 -40.54 9.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.66 -32.18 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.31 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -11.34 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.255 0.55 . . . . 10.0 110.925 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.42 -40.28 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.17 0.509 . . . . 10.0 110.334 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 -33.98 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.186 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -111.6 18.82 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.73 -177.29 0.21 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.649 0.593 . . . . 10.0 111.773 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -92.76 25.21 3.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.835 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.18 101.57 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -54.43 -40.35 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.461 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.11 54.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.958 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.95 98.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.693 0.283 . . . . 10.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.03 83.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.71 -32.85 74.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.55 -35.28 73.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.27 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -58.86 -31.3 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.613 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 pp -101.31 0.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.669 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 68.92 -53.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.812 1.041 . . . . 10.0 113.812 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.643 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 74.2 m-85 -55.65 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.243 0.544 . . . . 10.0 112.142 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.1 -45.91 3.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.14 -57.19 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.356 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.714 -0.66 . . . . 10.0 110.554 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.837 -0.505 . . . . 10.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -102.1 102.09 22.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.7 0.286 . . . . 10.0 110.358 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.91 151.09 24.06 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.391 2.061 . . . . 10.0 112.385 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -64.61 -10.2 23.62 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.928 2.419 . . . . 10.0 112.161 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -76.27 -25.33 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.117 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.14 33.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.577 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.13 128.38 85.16 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.78 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 25.5 Cg_endo -60.51 -22.35 71.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.158 2.572 . . . . 10.0 113.348 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -93.2 -27.65 16.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.857 0.36 . . . . 10.0 110.244 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 tp -69.96 -37.34 75.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.37 -20.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.184 0.516 . . . . 10.0 110.17 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 23.3 mm-40 -77.06 -13.96 59.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.213 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -63.22 -29.97 71.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.277 0.561 . . . . 10.0 109.82 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.42 -42.99 52.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.95 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -28.87 68.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.643 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -61.07 -37.2 81.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.561 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.3 mmm -67.57 -46.09 73.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.02 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.237 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -27.74 68.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 46.3 ttm -82.27 -14.7 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.05 10.83 41.46 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.033 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.93 122.8 44.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.41 0.624 . . . . 10.0 110.97 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -154.87 156.79 36.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -99.58 169.38 9.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 10.0 111.523 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -48.8 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.176 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.47 7.7 68.75 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.594 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.08 44.98 16.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.487 -0.387 . . . . 10.0 113.05 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 39.6 p-90 -95.67 -27.34 15.34 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.815 0.308 . . . . 10.0 111.541 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.77 -39.31 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.007 0.432 . . . . 10.0 110.315 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -61.41 -27.77 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.287 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -83.37 -38.15 22.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.371 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.17 -44.44 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.704 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -16.0 63.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -93.76 -20.63 19.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.717 0.294 . . . . 10.0 110.424 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.409 HG23 ' HB2' ' A' ' 25' ' ' GLU . 1.2 m -100.07 -31.59 11.35 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.862 0.363 . . . . 10.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -106.24 12.85 29.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 70.84 175.03 0.3 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.634 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -86.72 27.78 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.126 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.98 115.72 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.458 . . . . 10.0 110.679 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -65.51 -36.56 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.32 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.24 -54.61 36.44 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.149 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.69 87.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.995 0.426 . . . . 10.0 110.602 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.96 -51.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.153 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.15 -40.75 96.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.247 0.546 . . . . 10.0 111.689 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -67.9 -17.45 64.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.21 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.3 m -63.95 -37.19 86.5 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.923 1.082 . . . . 10.0 113.923 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.27 26.41 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.643 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 mm-40 71.33 -53.88 0.68 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.245 0.618 . . . . 10.0 112.511 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -47.67 110.57 0.33 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.35 0.595 . . . . 10.0 112.05 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -144.15 -69.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.354 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -77.48 -40.14 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.157 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 179.47 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 112.107 -0.397 . . . . 10.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.28 96.43 35.23 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.31 151.5 26.38 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.412 2.075 . . . . 10.0 112.63 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.87 -6.09 18.38 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.379 2.053 . . . . 10.0 111.177 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -84.71 -0.77 54.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.88 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.29 137.04 46.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.357 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.86 128.96 87.32 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.038 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.47 -25.27 75.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.175 2.584 . . . . 10.0 112.698 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 60.8 mtm180 -86.58 -28.36 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 10.0 110.271 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 tp -68.81 -35.84 77.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.726 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -78.34 -14.53 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.484 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 4.0 mm-40 -69.1 -18.68 64.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.026 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -59.98 -29.12 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.1 -43.85 18.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.162 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -36.05 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.673 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.03 -41.73 97.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.12 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 mmt -64.99 -45.41 85.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.035 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.67 -43.05 98.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -74.53 -20.47 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.291 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.57 -10.62 59.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.38 11.42 59.64 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.78 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -102.68 121.66 42.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.842 0.83 . . . . 10.0 110.584 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -157.28 140.02 15.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.566 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -107.98 165.99 11.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' HB ' ' B' ' 35' ' ' THR . 0.0 OUTLIER -116.76 4.19 13.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.558 0.947 . . . . 10.0 113.558 -177.394 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -117.94 -5.73 13.29 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 119.747 -1.216 . . . . 10.0 112.394 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 83.82 28.61 34.41 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.505 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 56.9 p-90 -96.93 -29.61 13.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.2 tp -72.96 -37.31 67.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -66.56 -20.26 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.428 0.632 . . . . 10.0 110.112 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -91.16 -31.1 16.33 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.897 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.112 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.69 -11.14 60.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.267 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -94.88 -34.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.71 12.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -91.21 5.94 47.11 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.391 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 69.85 173.61 0.3 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -82.6 46.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.283 0.564 . . . . 10.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.5 102.03 13.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.387 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.32 -41.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.532 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.34 -50.7 60.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.902 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.23 99.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.913 -0.169 . . . . 10.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.49 79.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.708 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.92 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 10.0 111.471 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -76.92 -8.0 56.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.563 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.5 m -81.79 -24.97 35.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.841 0.312 . . . . 10.0 111.841 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 pt -115.34 18.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.723 -0.391 . . . . 10.0 111.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 71.3 -50.17 0.69 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.302 0.641 . . . . 10.0 112.352 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 84.2 m-85 -62.23 100.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.937 0.399 . . . . 10.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -112.22 -40.64 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.103 0.478 . . . . 10.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -102.15 -70.47 0.75 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.368 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.815 -0.612 . . . . 10.0 109.657 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.806 -0.518 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -93.89 108.13 32.75 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.63 0.252 . . . . 10.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 75.2 Cg_endo -90.39 142.44 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.916 2.41 . . . . 10.0 112.597 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 15.7 Cg_exo -70.3 -4.2 13.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.483 2.122 . . . . 10.0 111.949 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.93 -27.29 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.12 143.69 27.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.72 131.62 89.45 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.563 -0.289 . . . . 10.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.68 -22.8 74.25 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 10.0 112.74 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.99 -15.93 35.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.37 . . . . 10.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.94 -32.27 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 10.0 109.886 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.0 tt -89.67 -8.92 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.72 -23.47 65.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.32 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -31.78 71.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.032 0.444 . . . . 10.0 110.314 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.29 -47.11 52.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.975 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.565 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -60.83 -46.42 90.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.019 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mmm -61.83 -36.64 81.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 10.0 109.887 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.49 -43.25 90.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.118 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -68.02 -22.86 64.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.819 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mmm -81.6 -4.96 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.44 . . . . 10.0 110.3 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.27 28.71 43.47 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.216 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.69 122.85 46.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -141.58 158.45 43.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.78 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.469 ' HB2' ' H ' ' B' ' 28' ' ' TRP . 20.5 p-10 -120.44 116.88 26.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.267 0.556 . . . . 10.0 111.268 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.31 -43.11 58.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.9 8.56 79.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 46.79 79.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.222 -0.513 . . . . 10.0 112.522 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' TRP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 53.7 p-90 -96.45 -24.82 15.93 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.647 -0.325 . . . . 10.0 111.513 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.4 -39.3 32.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.836 0.35 . . . . 10.0 110.738 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -59.14 -26.44 64.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.326 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.46 -30.8 19.14 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.33 0.586 . . . . 10.0 109.882 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.54 -42.23 98.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.253 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -70.37 -15.74 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.429 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -92.87 -19.51 21.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.92 0.391 . . . . 10.0 110.796 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.445 ' HB ' ' OE2' ' A' ' 25' ' ' GLU . 1.3 p -98.41 -38.26 9.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.677 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -105.72 12.41 31.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.173 -0.211 . . . . 10.0 110.993 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.77 176.02 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.874 0.734 . . . . 10.0 111.376 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -85.64 45.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.253 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -100.24 109.43 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.841 0.353 . . . . 10.0 110.197 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -64.8 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.475 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.72 55.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.4 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.24 91.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.605 0.241 . . . . 10.0 111.19 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 -51.64 66.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.99 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.89 -45.06 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.478 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.43 -36.43 78.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 112.017 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.2 m -60.6 -33.83 73.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.004 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 pt -105.1 5.51 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 7.5 mm-40 71.8 -41.34 0.5 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.459 0.704 . . . . 10.0 112.643 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -64.32 83.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.121 0.486 . . . . 10.0 111.286 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -111.44 -24.17 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.497 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -121.11 -63.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.24 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.582 -0.723 . . . . 10.0 109.647 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.155 -0.378 . . . . 10.0 112.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -110.77 104.85 56.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 110.557 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.28 162.13 25.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.629 2.219 . . . . 10.0 111.906 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 -6.46 16.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.76 2.307 . . . . 10.0 111.897 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.86 -8.57 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.039 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.58 131.19 37.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.266 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.74 127.92 93.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.516 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.19 -25.12 76.77 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.014 2.476 . . . . 10.0 113.108 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -86.1 -28.71 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.414 . . . . 10.0 110.213 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 tt -73.05 -26.93 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.57 -13.69 62.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.393 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 m -71.0 -24.95 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.159 0.504 . . . . 10.0 109.857 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.39 -46.81 15.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.129 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.74 74.4 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.042 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -63.27 -37.41 87.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.637 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.9 mmm -66.13 -41.8 89.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.591 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.2 -40.18 95.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.102 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -72.47 -21.4 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.907 0.384 . . . . 10.0 111.293 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 mmm -75.97 -19.95 58.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.47 18.84 8.74 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.271 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.21 123.06 42.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -135.04 154.5 51.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.531 ' OD2' ' HA2' ' A' ' 27' ' ' GLY . 5.0 p-10 -121.39 143.53 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.961 0.41 . . . . 10.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -49.55 4.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.134 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 -7.48 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' HA2' ' OD2' ' A' ' 24' ' ' ASP . . . 94.81 29.19 9.38 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.296 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -72.6 -21.31 61.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.36 -0.494 . . . . 10.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.6 tp -62.82 -52.74 61.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -63.71 -29.43 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.563 0.221 . . . . 10.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -72.4 -42.03 65.64 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -33.4 75.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 96.2 mt -71.43 -15.22 62.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -95.41 -20.1 19.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 p -98.56 -42.74 7.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.042 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -104.08 12.99 33.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.478 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.2 t30 66.62 -178.05 0.2 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.091 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -88.29 25.4 1.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 10.0 110.177 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.78 97.01 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.271 0.557 . . . . 10.0 110.647 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.7 -40.21 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.984 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.04 -25.07 69.16 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.181 -0.533 . . . . 10.0 112.804 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.79 -43.06 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.628 -0.336 . . . . 10.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.15 93.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.59 -34.26 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.113 0.482 . . . . 10.0 110.747 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.27 -25.81 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.052 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.7 -31.53 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.781 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -108.54 9.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.704 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -47.06 0.66 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -53.78 100.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.099 0.476 . . . . 10.0 112.213 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -111.59 -31.77 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -117.36 -57.69 2.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.481 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 t60 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.471 -0.776 . . . . 10.0 109.769 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.839 -0.504 . . . . 10.0 111.839 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -106.95 101.18 36.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 16.0 Cg_exo -68.24 143.79 60.13 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.556 2.17 . . . . 10.0 111.9 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -63.02 -4.39 6.09 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.013 2.475 . . . . 10.0 112.844 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -87.53 -8.35 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.924 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.19 139.04 30.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.473 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.87 124.94 89.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.22 -19.55 68.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.976 2.45 . . . . 10.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -91.5 -24.53 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.993 0.425 . . . . 10.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.73 -38.05 67.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.135 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.16 -24.39 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 10.0 110.088 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -74.38 -13.63 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.76 -27.63 69.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.271 0.558 . . . . 10.0 109.935 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 -42.69 18.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.219 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -39.66 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.722 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.08 -36.52 72.95 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.566 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.16 -43.33 99.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.807 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.28 -39.25 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.472 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -67.91 -23.46 65.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.107 0.479 . . . . 10.0 110.785 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 77.4 mmm -84.86 -7.74 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.246 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.43 1.68 64.14 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.127 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.4 123.41 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.217 0.532 . . . . 10.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 142.18 24.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -105.24 153.53 21.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.473 0.654 . . . . 10.0 111.553 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -43.97 5.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.2 79.19 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.222 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 38.64 29.2 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 121.303 -0.475 . . . . 10.0 113.083 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -96.55 -15.71 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 10.0 112.789 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.2 tp -70.48 -43.41 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.034 0.445 . . . . 10.0 110.042 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -67.03 -13.11 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.457 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -93.73 -44.18 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.115 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.52 -35.44 75.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.18 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.81 -12.69 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.699 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.29 -43.2 8.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.733 0.302 . . . . 10.0 110.651 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -44.84 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 10.0 112.15 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -95.32 8.36 43.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.656 0.265 . . . . 10.0 111.135 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 69.99 171.39 0.31 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -81.12 38.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.223 0.535 . . . . 10.0 110.742 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -84.36 90.67 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.923 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.6 mt -53.39 -47.9 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.837 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.67 -37.69 93.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.578 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' B' ' 39' ' ' ASP . . . -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.944 0.402 . . . . 10.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.69 94.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -33.14 75.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 10.0 110.814 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.0 -20.85 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.202 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.3 m -62.22 -32.15 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.346 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' H ' ' B' ' 49' ' ' TYR . 38.8 pt -114.58 2.18 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.958 -0.297 . . . . 10.0 111.407 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 68.77 -14.17 0.29 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.406 ' H ' HG13 ' B' ' 47' ' ' ILE . 61.1 m-85 -77.94 69.97 4.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.191 0.52 . . . . 10.0 110.953 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 -18.48 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.547 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -94.81 -50.2 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.054 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 -179.567 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.587 -0.605 . . . . 10.0 111.587 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -74.72 124.19 89.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.79 0.295 . . . . 10.0 110.637 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.33 166.52 22.35 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.636 2.224 . . . . 10.0 111.58 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.19 -17.94 22.01 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.732 2.288 . . . . 10.0 112.577 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -70.98 -19.19 62.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.67 132.79 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.6 126.65 92.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.81 -20.32 70.89 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.022 2.481 . . . . 10.0 112.952 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -88.56 -41.43 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.817 0.341 . . . . 10.0 110.692 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.45 -37.61 87.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.201 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -75.41 -22.74 16.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 10.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.05 -13.48 60.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.489 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.16 -29.21 69.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 10.0 109.871 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.07 -47.22 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.73 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -37.81 87.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.616 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -58.88 -40.7 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.981 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mmm -66.01 -40.62 91.26 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.033 0.445 . . . . 10.0 110.158 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.91 -41.37 91.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.415 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -68.81 -14.47 63.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.168 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.9 ttm -90.24 -3.14 58.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.277 0.561 . . . . 10.0 110.02 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.97 57.15 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.994 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -109.34 123.62 49.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.024 0.44 . . . . 10.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 169.39 18.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -120.71 156.28 32.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.144 0.497 . . . . 10.0 111.019 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -49.54 3.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.58 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.88 3.13 84.72 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.914 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.06 47.09 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.558 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 28.8 p-90 -96.49 -25.07 15.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.84 -39.89 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 10.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -64.78 -22.42 66.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.123 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -94.65 -31.76 13.69 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.58 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.94 -40.48 89.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.66 -7.61 51.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.75 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -88.67 -34.17 17.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.699 0.285 . . . . 10.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -98.87 -9.86 23.68 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -126.42 8.92 7.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.633 0.254 . . . . 10.0 110.68 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 69.0 168.11 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.854 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.94 36.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.916 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.18 106.5 14.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.94 0.4 . . . . 10.0 110.186 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.33 -39.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.539 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.72 -55.6 26.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.189 -0.529 . . . . 10.0 112.534 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.53 79.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.345 0.117 . . . . 10.0 110.992 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.24 74.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.67 -33.28 74.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.971 0.415 . . . . 10.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.2 -31.54 67.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.762 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -61.22 -33.03 72.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.663 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 pt -106.71 6.51 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.761 -0.376 . . . . 10.0 111.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 3.8 mm-40 69.5 -38.58 0.41 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.38 79.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 10.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -100.24 -19.4 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -114.1 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.858 0.361 . . . . 10.0 110.458 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.511 -0.635 . . . . 10.0 111.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -107.32 98.36 22.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.794 0.33 . . . . 10.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -81.0 169.92 15.76 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.799 2.332 . . . . 10.0 112.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.16 -12.02 21.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.868 2.379 . . . . 10.0 112.176 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -70.27 -25.08 63.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.367 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.737 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.04 129.09 89.85 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.93 -25.2 74.16 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.706 2.271 . . . . 10.0 112.74 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -87.07 -24.49 24.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 10.0 110.248 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.12 -42.34 60.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.076 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -71.36 -24.21 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.432 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.64 -15.33 63.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -68.13 -28.07 66.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.21 0.529 . . . . 10.0 109.991 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.59 -48.22 23.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.282 0.563 . . . . 10.0 109.508 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -29.05 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.5 -44.91 93.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.264 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.0 mmm -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.928 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.01 -39.09 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.706 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -68.85 -23.99 64.3 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 111.355 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 80.4 mmm -83.49 -10.14 58.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.99 25.45 11.33 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.976 -0.63 . . . . 10.0 112.186 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.99 123.56 48.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 10.0 110.752 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.01 145.09 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.87 178.18 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.8 -0.36 . . . . 10.0 111.447 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -104.77 -60.78 1.55 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.55 -15.32 61.53 Favored Glycine 0 N--CA 1.463 0.444 0 N-CA-C 114.828 0.691 . . . . 10.0 114.828 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 38.52 4.77 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.281 -0.728 . . . . 10.0 111.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 42.5 p-90 -95.2 -23.66 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.001 -0.28 . . . . 10.0 111.696 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.8 -44.65 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -70.55 -16.27 62.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.303 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -90.65 -41.0 11.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.202 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.53 -35.07 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.2 -8.51 55.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.615 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -94.42 -39.16 10.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 10.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -86.03 -31.21 22.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.182 -0.463 . . . . 10.0 112.128 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -111.25 11.63 21.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.481 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.0 t30 70.32 168.74 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.76 0.662 . . . . 10.0 111.571 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.31 35.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.863 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -82.96 108.83 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.423 ' H ' HG13 ' B' ' 40' ' ' ILE . 14.0 mt -61.65 -34.41 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.62 62.22 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.907 -0.664 . . . . 10.0 111.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.09 77.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.622 0.248 . . . . 10.0 111.045 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.42 58.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.81 -33.88 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.029 0.442 . . . . 10.0 111.192 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.58 -38.1 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.253 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -54.18 -39.9 67.06 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.14 9.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.36 -40.27 0.47 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.697 . . . . 10.0 112.754 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 87.4 m-85 -60.28 99.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 10.0 111.042 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -119.93 -42.75 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -78.59 -69.84 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.727 -0.654 . . . . 10.0 109.618 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.004 -0.438 . . . . 10.0 112.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -93.49 112.29 55.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.736 0.303 . . . . 10.0 110.194 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 74.2 Cg_endo -78.31 148.27 23.75 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.629 2.219 . . . . 10.0 112.562 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 16.8 Cg_exo -68.03 -10.44 28.88 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.686 2.258 . . . . 10.0 111.885 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -85.05 -5.08 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.488 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 141.44 28.63 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.178 -0.465 . . . . 10.0 109.814 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.41 118.72 66.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 121.098 -0.241 . . . . 10.0 110.763 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.21 -22.69 58.24 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.139 2.559 . . . . 10.0 112.984 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -87.66 -39.98 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 10.0 110.658 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.47 -41.81 92.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.1 tt -68.99 -18.99 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 10.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.35 -13.63 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.365 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.7 m -61.57 -31.84 71.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 10.0 110.233 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.21 -44.34 53.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.989 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -36.87 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -60.36 -36.64 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.325 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' SER . 87.0 mmm -64.58 -36.13 83.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 10.0 110.136 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.67 -43.97 91.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.44 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -26.63 66.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 10.0 110.58 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 ttm -75.64 -18.34 59.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.613 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.72 11.44 40.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.394 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.42 123.34 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 10.0 110.013 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.55 137.61 26.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.214 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CG ' ' HB3' ' A' ' 29' ' ' LEU . 19.5 p-10 -114.85 121.71 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.213 0.53 . . . . 10.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -42.95 16.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.759 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.07 2.37 81.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.496 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.23 39.19 71.89 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.129 -0.558 . . . . 10.0 112.046 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 54.3 p-90 -91.22 -34.01 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.898 0.332 . . . . 10.0 111.898 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 24' ' ' ASP . 19.5 tp -71.78 -36.07 70.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.766 0.317 . . . . 10.0 110.264 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -21.56 64.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.245 0.545 . . . . 10.0 110.478 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -93.99 -35.08 12.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.759 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.06 -37.88 86.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.65 -12.13 59.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -95.57 -36.28 11.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.346 . . . . 10.0 110.996 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -84.29 -43.25 15.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.762 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 11.07 36.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.688 0.28 . . . . 10.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 67.26 177.53 0.24 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.042 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -87.16 36.86 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.854 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.55 102.26 15.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.88 -35.94 63.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.368 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.34 75.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.283 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.43 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.734 0.302 . . . . 10.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.76 75.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.818 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.0 -40.56 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.94 -31.28 72.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -34.8 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' B' ' 47' ' ' ILE . 33.0 pt -109.48 5.12 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.576 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.43 -44.41 0.54 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.847 0.859 . . . . 10.0 112.976 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -50.65 112.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 10.0 112.08 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -30.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.715 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -107.19 -55.09 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.699 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.737 -0.649 . . . . 10.0 109.797 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.49 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.628 -0.589 . . . . 10.0 111.628 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -94.45 104.03 12.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 4.4 Cg_exo -76.6 139.15 20.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.63 2.22 . . . . 10.0 111.973 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 25.9 Cg_exo -64.08 -11.16 26.12 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.618 2.212 . . . . 10.0 112.623 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.53 -16.08 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.153 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.04 159.81 23.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.398 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 11.8 t0 -74.87 117.62 64.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.018 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.52 -15.12 46.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.72 2.28 . . . . 10.0 113.359 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -93.71 -38.12 11.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 10.0 110.335 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 42.9 tp -65.91 -35.37 80.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 tt -69.33 -16.83 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.53 -12.8 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.356 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 6.5 m -60.24 -33.51 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 10.0 110.278 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.23 -42.9 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.729 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -38.23 89.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.446 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.66 -39.75 89.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 88.7 mmm -66.31 -37.6 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.124 0.488 . . . . 10.0 110.044 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.626 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -69.26 -13.33 62.33 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.3 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.7 ttm -82.87 -9.34 59.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 10.0 109.635 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.3 23.36 27.07 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.301 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -122.27 122.12 38.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.431 0.634 . . . . 10.0 110.256 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -146.56 140.74 26.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.882 -1.053 . . . . 10.0 108.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.47 140.82 29.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.347 0.594 . . . . 10.0 111.307 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.95 -38.34 9.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.641 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.74 10.43 72.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.923 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.98 37.84 93.58 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 121.298 -0.477 . . . . 10.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 62.0 p-90 -96.3 -26.0 15.55 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 tp -73.75 -37.36 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 10.0 110.132 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -65.18 -20.17 66.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.103 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -89.51 -28.44 19.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.635 0.731 . . . . 10.0 109.059 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.95 -42.69 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.62 -13.04 62.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.505 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -93.31 -26.1 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.891 0.377 . . . . 10.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -99.43 -25.8 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 10.0 112.129 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.05 14.85 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 10.0 111.104 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.65 166.91 0.24 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.537 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -81.25 54.94 2.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 106.89 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.44 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.7 mt -57.09 -49.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.35 -46.06 93.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.573 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.641 0.258 . . . . 10.0 110.962 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.01 90.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.092 0.472 . . . . 10.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.55 -34.59 78.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.859 0.362 . . . . 10.0 111.845 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.8 m -65.74 -35.59 81.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.272 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' A' ' 47' ' ' ILE . 34.9 pt -103.07 -10.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 65.57 -7.22 0.35 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -78.86 87.28 4.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.953 0.406 . . . . 10.0 110.216 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 -20.22 5.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mppt? -118.99 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.751 -0.642 . . . . 10.0 109.574 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -98.75 109.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.969 0.385 . . . . 10.0 110.498 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 57.7 Cg_endo -72.31 147.49 47.46 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.414 2.076 . . . . 10.0 112.247 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -63.77 -15.1 46.89 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.832 2.355 . . . . 10.0 112.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.39 -2.69 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.011 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.62 122.94 31.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.63 125.2 84.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 29.1 Cg_endo -62.17 -19.0 65.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.072 2.515 . . . . 10.0 113.52 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 58.6 mtm180 -93.86 -32.55 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.045 0.45 . . . . 10.0 110.128 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.05 -34.33 77.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.151 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.13 -14.65 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.28 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 13.3 mm-40 -71.33 -17.24 62.45 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.993 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.4 m -58.17 -32.86 68.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.051 0.453 . . . . 10.0 110.663 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.63 -44.98 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.943 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -37.58 86.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.796 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -57.24 -46.2 83.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.026 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 13' ' ' SER . 91.1 mmm -64.06 -43.08 96.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 10.0 110.243 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.07 -50.31 72.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.765 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -64.3 -25.56 68.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.358 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 48.7 ttm -77.07 -16.82 59.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.374 0.607 . . . . 10.0 110.143 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.03 13.74 33.02 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.362 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.175 0.512 . . . . 10.0 109.666 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -160.94 126.19 3.73 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.263 -0.88 . . . . 10.0 108.933 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -104.36 173.61 6.23 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.802 -0.359 . . . . 10.0 110.646 -179.202 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.6 6.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.36 -16.63 80.25 Favored Glycine 0 C--O 1.234 0.109 0 C-N-CA 120.679 -0.772 . . . . 10.0 113.319 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 92.88 31.28 8.73 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 111.379 -0.689 . . . . 10.0 111.379 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.8 p-90 -91.89 -31.91 15.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.062 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.45 -35.45 70.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 10.0 109.89 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -68.43 -17.94 64.32 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.436 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -94.11 -36.68 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 3.8 tp -58.14 -39.73 79.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.912 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.98 -10.09 50.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.835 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.44 -54.94 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.993 0.425 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -34.23 56.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.387 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 3.6 mptp? -95.95 4.72 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.207 -0.197 . . . . 10.0 111.018 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 73.49 163.53 0.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.952 0.782 . . . . 10.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.72 36.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.42 101.36 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 10.0 109.851 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.42 -42.47 80.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -48.43 84.21 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.128 -0.558 . . . . 10.0 112.227 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 10.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.88 91.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 10.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 4.4 mp -59.84 -41.14 90.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.599 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.45 -21.26 58.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.345 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.4 m -63.46 -34.25 77.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.278 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' B' ' 47' ' ' ILE . 24.0 pt -110.72 17.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 34.2 mm-40 70.5 -51.2 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.18 105.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 10.0 111.163 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 m -130.36 -27.62 2.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.735 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -100.99 -49.91 3.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.73 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.907 -0.568 . . . . 10.0 109.595 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.679 -0.568 . . . . 10.0 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.66 111.12 18.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.766 0.317 . . . . 10.0 110.703 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 88.3 Cg_endo -89.13 163.08 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.752 2.301 . . . . 10.0 112.103 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.27 -2.2 6.69 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.914 2.409 . . . . 10.0 112.392 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -81.07 -14.35 57.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.966 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.78 146.38 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.342 . . . . 10.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -77.4 129.9 76.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.489 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.82 -22.52 74.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.24 2.626 . . . . 10.0 113.548 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -89.86 -35.33 15.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 10.0 110.181 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.04 -39.34 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 tt -77.02 -7.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.152 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.41 -16.47 45.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.777 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -61.55 -27.93 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.907 0.384 . . . . 10.0 110.686 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.02 -49.4 24.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.382 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -33.8 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -60.44 -45.84 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.726 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.3 mmm -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.43 -45.91 85.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.439 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -26.65 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 33.0 ttm -71.48 -21.53 61.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.75 10.6 26.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.88 123.15 47.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 10.0 110.178 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -149.76 141.73 23.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.739 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -102.88 148.8 25.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.465 0.65 . . . . 10.0 111.411 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 -40.81 4.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.889 -1.05 . . . . 10.0 109.782 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.6 -4.34 89.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.369 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' B' ' 31' ' ' ARG . . . 79.44 36.95 25.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.504 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 51.8 p-90 -95.75 -25.05 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.672 0.272 . . . . 10.0 111.587 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -84.21 -37.59 21.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.054 0.454 . . . . 10.0 110.196 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -65.73 -26.84 67.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.424 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 27' ' ' GLY . 5.4 mtm180 -90.09 -16.89 28.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.316 0.579 . . . . 10.0 109.618 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.21 -40.16 74.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.993 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.89 -13.55 62.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.757 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -90.76 -24.24 20.42 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.7 p -100.77 -40.98 7.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -101.11 19.61 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.571 0.224 . . . . 10.0 111.097 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.64 179.74 0.23 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.463 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -96.16 30.34 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.67 111.06 20.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 110.755 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.44 -43.15 93.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.488 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.19 -55.76 27.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.218 -0.515 . . . . 10.0 112.701 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.38 90.98 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.064 0.459 . . . . 10.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.51 -24.22 60.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.279 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -60.49 -33.27 72.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 10.0 112.01 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 47' ' ' ILE . 21.9 pt -104.61 1.09 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.94 19.48 10.74 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.48 24.7 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.388 0.613 . . . . 10.0 109.629 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -27.28 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.477 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -82.1 -49.39 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.131 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.195 -0.907 . . . . 10.0 110.625 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.966 -0.454 . . . . 10.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.34 109.93 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.619 0.209 . . . . 10.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 1' ' ' GLY . 93.9 Cg_endo -88.65 157.14 6.31 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.843 2.362 . . . . 10.0 112.415 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.47 -15.53 41.71 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.946 2.431 . . . . 10.0 112.236 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -74.04 -18.61 60.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.05 143.34 34.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.9 122.19 86.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.628 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.02 -20.65 72.05 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.814 2.343 . . . . 10.0 112.846 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -89.65 -31.73 17.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.391 . . . . 10.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -67.76 -39.43 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -71.55 -21.27 21.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.003 0.43 . . . . 10.0 110.423 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.72 -13.74 61.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.37 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -66.46 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.047 0.451 . . . . 10.0 110.596 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.71 -44.34 56.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.57 69.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.325 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -59.2 -48.21 82.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.449 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.56 -42.43 95.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.199 0.523 . . . . 10.0 110.05 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.94 -40.46 93.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.845 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -74.46 -26.97 60.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.0 ttm -75.56 -14.01 60.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.468 0.652 . . . . 10.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.49 4.87 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.974 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -137.12 123.23 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -147.79 170.86 16.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.095 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -114.92 159.36 20.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.335 0.588 . . . . 10.0 110.545 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -46.93 3.44 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.642 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.86 2.91 82.66 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.879 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 42.86 25.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.598 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 69.4 p-90 -95.86 -28.41 14.73 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.639 -0.33 . . . . 10.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -72.8 -36.64 67.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.021 0.439 . . . . 10.0 110.11 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.373 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -90.4 -30.35 17.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.83 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.79 -43.66 98.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.55 -7.45 20.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.77 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -92.86 -40.74 10.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.288 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.0 p -98.39 -4.6 34.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 10.0 111.96 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.91 6.06 9.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 69.53 169.32 0.3 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -85.89 41.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.016 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.23 112.33 24.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.185 0.517 . . . . 10.0 110.72 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.63 -49.2 85.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.623 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.43 -47.65 81.69 Favored Glycine 0 C--N 1.329 0.19 0 CA-C-N 116.006 -0.543 . . . . 10.0 112.954 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.68 92.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.7 0.286 . . . . 10.0 111.518 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.04 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.803 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.75 -36.13 82.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.416 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.14 -24.46 54.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.176 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 m -66.23 -31.42 72.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.527 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 42.9 pt -104.37 4.29 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.636 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.562 ' HG2' ' CE2' ' B' ' 49' ' ' TYR . 10.6 mm100 71.95 -43.37 0.56 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.266 0.626 . . . . 10.0 112.454 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -69.09 90.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 10.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -116.58 -14.88 10.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.384 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -101.68 -50.75 3.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 10.0 110.488 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.619 -0.705 . . . . 10.0 109.771 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.91 106.43 40.9 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.799 0.333 . . . . 10.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.5 156.51 21.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.572 2.181 . . . . 10.0 111.503 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.42 -0.17 5.49 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.797 2.332 . . . . 10.0 112.767 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -80.05 -20.18 45.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.175 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 141.02 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.187 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.21 122.21 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.476 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.428 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 29.8 Cg_endo -63.66 -17.27 59.24 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.92 2.413 . . . . 10.0 113.892 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 66.9 mtm180 -92.8 -30.76 15.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.779 0.323 . . . . 10.0 110.313 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.67 -38.31 86.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.049 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 tt -72.31 -16.91 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.615 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 9' ' ' ARG . 60.0 mm-40 -73.07 -25.22 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -61.97 -33.02 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.811 0.339 . . . . 10.0 111.222 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.27 -42.78 62.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -28.05 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.957 0.408 . . . . 10.0 110.376 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -63.82 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.5 mmm -62.36 -42.24 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.45 -40.55 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.438 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -32.59 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.16 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 34.9 ttm -69.11 -29.09 67.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.373 0.606 . . . . 10.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.79 25.96 4.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.408 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.89 121.71 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -172.92 126.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.9 178.79 4.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.683 0.278 . . . . 10.0 111.11 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -44.67 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.727 -178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.51 63.99 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.333 -0.46 . . . . 10.0 113.043 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' B' ' 31' ' ' ARG . . . 98.36 21.69 16.63 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 8.2 p-90 -74.83 -30.75 61.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.555 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.57 -40.73 73.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 10.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 27' ' ' GLY . 1.3 t -69.61 -18.99 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 10.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 27' ' ' GLY . 28.2 mmm180 -88.0 -37.93 15.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.09 -36.49 81.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.97 -8.58 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.677 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -95.24 -47.7 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.986 -0.285 . . . . 10.0 111.118 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -79.81 -31.25 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 10.0 111.808 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -100.37 6.19 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.851 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.28 -177.92 0.22 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.518 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.62 34.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.304 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.79 103.51 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.188 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.33 -45.88 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.62 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -44.57 96.37 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.163 -0.541 . . . . 10.0 112.93 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.85 72.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 10.0 111.551 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.97 78.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.69 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.59 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -83.01 -7.24 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.641 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -65.63 -38.42 89.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.753 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 pt -115.77 17.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.798 -0.361 . . . . 10.0 111.933 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 73.49 -42.16 0.51 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.171 0.588 . . . . 10.0 112.025 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 93.5 m-85 -57.32 97.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 10.0 111.266 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.59 -39.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.12 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -84.6 -59.24 2.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.668 -0.682 . . . . 10.0 110.653 -179.498 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.85 -0.5 . . . . 10.0 111.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.01 119.58 54.98 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.542 0.171 . . . . 10.0 110.621 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.13 144.98 27.26 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.072 1.848 . . . . 10.0 111.631 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.16 -20.32 23.9 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.324 2.682 . . . . 10.0 113.178 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.87 -23.51 60.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.801 0.334 . . . . 10.0 111.017 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 137.17 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.07 120.2 67.65 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 37.4 Cg_endo -66.21 -17.37 54.41 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.894 2.396 . . . . 10.0 112.73 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -92.87 -38.42 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.994 0.426 . . . . 10.0 110.182 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.0 -36.54 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.32 -16.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 10.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 mm-40 -78.21 -13.19 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.281 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -62.37 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.46 -46.19 41.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.932 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -59.25 -40.51 86.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.8 mmm -64.64 -42.71 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.368 0.604 . . . . 10.0 109.689 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.11 -44.41 96.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.37 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 m -65.03 -28.1 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.803 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.9 mtm -79.17 -6.01 55.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.674 0.274 . . . . 10.0 111.109 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.12 15.97 36.91 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -103.19 122.45 44.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.256 0.55 . . . . 10.0 110.429 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -155.76 144.9 20.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.67 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 29' ' ' LEU . 7.8 p30 -95.05 153.2 17.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.309 0.576 . . . . 10.0 111.478 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -100.05 -44.22 6.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.544 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.01 61.4 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.507 -0.77 . . . . 10.0 111.914 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.84 45.42 8.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.978 -0.63 . . . . 10.0 112.308 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 31.4 p-90 -95.45 -30.53 13.83 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.841 -0.211 . . . . 10.0 111.36 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 22.5 tp -71.99 -38.48 69.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.593 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -63.47 -19.22 64.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.603 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -93.05 -33.53 14.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.19 0.519 . . . . 10.0 109.908 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.0 -38.06 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.725 -0.671 . . . . 10.0 111.049 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.47 -16.33 63.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -94.33 -17.96 22.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.798 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.92 -40.0 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 10.0 112.119 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -109.27 16.71 22.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.646 0.26 . . . . 10.0 111.129 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 68.69 175.26 0.28 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.55 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.56 26.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.674 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.57 110.13 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.039 0.447 . . . . 10.0 110.444 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.94 -42.18 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.127 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.94 73.07 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.619 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.45 84.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.268 . . . . 10.0 111.237 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.83 95.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.417 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 50' ' ' SER . 8.1 tp -71.18 -28.86 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.071 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -20.18 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -56.84 -35.96 69.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.073 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.583 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -111.21 12.77 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -178.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.4 mm-40 69.49 -30.31 0.19 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -70.79 74.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.126 0.489 . . . . 10.0 111.066 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.48 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 3.6 m -104.13 -2.81 25.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.741 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -122.2 -62.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.133 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.558 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.509 -0.637 . . . . 10.0 111.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.8 98.16 23.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 151.04 25.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.446 2.097 . . . . 10.0 112.361 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.76 -5.88 15.46 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.824 2.349 . . . . 10.0 112.195 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -75.27 -22.55 57.72 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.888 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.94 151.79 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.148 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.36 131.27 59.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.482 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 36.6 Cg_endo -64.75 -20.19 64.82 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.179 2.586 . . . . 10.0 113.176 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -93.68 -37.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.35 -42.0 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.71 -17.04 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 10.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 10.6 mm-40 -73.28 -12.5 60.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' B' ' 17' ' ' MET . 14.4 m -55.46 -32.16 62.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 10.0 110.625 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.11 -41.1 67.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.59 70.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -60.52 -44.5 95.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.501 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 13' ' ' SER . 92.9 mmm -64.43 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.341 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.88 -46.02 86.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.44 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 16.2 t -70.4 -19.16 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ttm -81.93 -12.03 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.173 0.511 . . . . 10.0 110.472 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 11.9 40.52 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.64 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.15 124.29 42.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.726 0.298 . . . . 10.0 110.299 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -150.56 148.81 29.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.156 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -110.96 137.74 48.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.046 0.451 . . . . 10.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 -22.89 25.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.695 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 21.95 7.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.493 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.31 42.86 99.89 Favored Glycine 0 C--O 1.23 -0.126 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 45.1 p-90 -96.04 -26.78 15.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 10.0 111.164 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.42 -38.32 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.22 68.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.405 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -83.61 -35.84 24.34 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.827 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.08 -35.91 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.39 -8.26 54.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -94.84 -46.16 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.954 0.407 . . . . 10.0 110.084 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 25' ' ' GLU . 2.3 p -77.91 -40.68 39.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.006 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -101.56 9.76 40.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.612 0.244 . . . . 10.0 111.019 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 69.45 178.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.645 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -92.27 35.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.35 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.87 106.53 17.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -56.61 -46.43 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.852 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.13 53.54 Favored Glycine 0 N--CA 1.454 -0.106 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.675 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.66 95.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.986 0.422 . . . . 10.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.78 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.95 -42.23 94.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.164 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.14 -28.4 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -59.48 -38.12 80.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.492 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 pt -101.19 4.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? 71.34 -51.25 0.69 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.892 0.877 . . . . 10.0 112.171 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.673 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 87.8 m-85 -54.21 100.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.987 0.423 . . . . 10.0 111.453 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -116.1 -35.27 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -94.34 -69.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.306 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.554 -0.736 . . . . 10.0 110.049 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -85.63 112.82 47.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.626 0.213 . . . . 10.0 110.918 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.75 161.54 41.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.714 2.276 . . . . 10.0 112.158 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.43 -4.9 10.29 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.095 2.53 . . . . 10.0 112.801 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.07 -21.43 43.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.581 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.29 133.7 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.418 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.4 125.9 92.14 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.007 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.44 -22.37 74.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 114.04 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -93.36 -40.58 10.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.687 0.28 . . . . 10.0 110.861 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.73 -41.67 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.363 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.74 -23.71 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.052 0.453 . . . . 10.0 111.443 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.08 -12.04 61.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.669 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -56.19 -33.93 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 10.0 110.52 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.71 -44.9 63.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -37.44 87.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.498 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -62.53 -44.31 96.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.6 mmm -63.56 -41.8 98.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.45 -40.03 93.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.268 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -74.39 -17.41 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.047 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 49.9 ttm -84.96 -8.6 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.048 0.452 . . . . 10.0 110.172 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.26 11.59 36.0 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.652 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -97.12 124.5 41.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 m -146.99 143.33 28.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.062 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' HA2' ' A' ' 27' ' ' GLY . 3.9 p30 -101.73 158.23 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.36 0.6 . . . . 10.0 111.646 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -47.0 2.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.023 -0.99 . . . . 10.0 108.997 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.53 5.89 77.43 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.864 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA2' ' OD1' ' A' ' 24' ' ' ASP . . . 77.42 40.78 22.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.536 -0.364 . . . . 10.0 112.975 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p-90 -95.99 -24.05 16.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.767 0.654 . . . . 10.0 112.767 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 22' ' ' PHE . 57.3 tp -62.39 -41.9 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 10.0 110.612 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -69.52 -12.71 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -94.15 -39.09 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.59 -38.48 81.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.692 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.14 -9.39 58.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -96.2 -46.08 6.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.891 0.377 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -76.21 -36.98 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.232 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -110.8 17.48 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.685 0.279 . . . . 10.0 111.749 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 t30 69.03 171.83 0.3 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.675 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.73 33.28 0.47 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.57 105.43 13.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.896 0.379 . . . . 10.0 110.411 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.8 -45.54 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.278 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.56 -41.47 98.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.666 0.27 . . . . 10.0 110.885 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.59 96.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 6.5 mp -64.06 -41.93 97.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.61 -21.35 61.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.541 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -59.6 -37.72 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.448 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' B' ' 47' ' ' ILE . 40.8 pt -111.72 7.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.314 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 50.4 mm-40 71.94 -39.02 0.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.695 0.798 . . . . 10.0 113.004 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -57.15 97.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.224 0.535 . . . . 10.0 111.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -34.45 6.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.852 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -121.53 -64.92 1.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.069 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.13 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.57 -0.612 . . . . 10.0 111.57 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.76 105.31 20.23 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.294 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 86.0 Cg_endo -86.93 148.75 8.24 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.576 2.184 . . . . 10.0 112.385 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 24.0 Cg_exo -65.12 -4.95 9.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.699 2.266 . . . . 10.0 112.128 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.12 -17.6 56.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.201 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.57 136.71 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.262 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.97 131.0 91.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.575 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 22.7 Cg_endo -60.71 -21.84 71.03 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.969 2.446 . . . . 10.0 113.054 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 9' ' ' ARG . 3.9 mtm180 -93.33 -28.07 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.746 0.308 . . . . 10.0 110.412 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.29 -40.09 77.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 10.0 110.528 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.03 -19.63 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 10.0 111.204 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 4.5 mm-40 -71.63 -12.9 61.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.646 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.2 m -56.74 -36.4 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 10.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.76 -46.5 62.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.904 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -38.84 90.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.236 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.68 -46.11 91.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -64.83 -39.76 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -47.11 87.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.44 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -68.82 -21.47 64.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.078 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.9 ttm -79.49 -6.34 56.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.26 12.61 54.29 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.508 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -96.43 122.78 39.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.162 0.506 . . . . 10.0 110.683 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -153.87 131.6 11.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.116 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -87.42 156.3 19.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.094 0.473 . . . . 10.0 111.606 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -28.61 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.18 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.01 12.8 17.16 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.872 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 38.99 57.73 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.928 -0.653 . . . . 10.0 113.218 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -96.64 -19.52 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 tp -70.57 -36.54 73.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -69.04 -14.59 63.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.145 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.45 -35.94 13.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.456 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -37.72 79.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.792 . . . . 10.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.91 -9.19 54.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.346 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -94.05 -39.41 10.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.881 0.372 . . . . 10.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -89.41 -39.22 13.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 10.0 112.091 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 11.23 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.134 -0.226 . . . . 10.0 110.927 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.8 t30 69.73 170.37 0.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.852 0.72 . . . . 10.0 111.231 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -84.9 34.78 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -90.27 110.51 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.064 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.5 -42.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.224 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -49.39 79.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.38 95.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.803 0.335 . . . . 10.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.81 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.395 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.54 -39.62 94.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 10.0 111.227 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.04 -6.44 52.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.733 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.0 m -70.02 -34.38 73.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' A' ' 47' ' ' ILE . 45.4 pt -114.01 15.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 71.07 -37.52 0.4 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.916 0.71 . . . . 10.0 112.916 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 98.6 m-85 -63.6 88.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 10.0 110.791 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -115.07 -51.1 2.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.462 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -74.06 -39.51 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.082 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.606 -0.711 . . . . 10.0 109.944 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.672 -0.571 . . . . 10.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 4.3 m -91.83 109.12 34.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.607 0.203 . . . . 10.0 110.649 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' SER . 6.0 Cg_exo -77.72 163.28 29.21 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.0 2.466 . . . . 10.0 111.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.62 -17.52 60.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.716 2.277 . . . . 10.0 112.0 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.51 -17.17 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.97 127.88 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.254 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 11.2 t70 -63.21 120.81 65.02 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.68 -17.92 61.02 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.912 2.408 . . . . 10.0 113.119 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -93.28 -40.16 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 30.7 tp -68.88 -37.3 78.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.236 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 tt -67.47 -22.17 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.085 0.469 . . . . 10.0 110.999 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.12 -13.11 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.717 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.3 m -60.11 -35.64 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 10.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.78 -48.91 62.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.019 0.437 . . . . 10.0 110.25 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -33.43 76.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -58.95 -46.42 88.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.159 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.13 -42.1 99.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.783 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.415 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -68.48 -26.52 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mmm -78.86 -2.94 42.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.815 0.341 . . . . 10.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.97 57.69 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.089 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.72 124.71 45.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.029 0.442 . . . . 10.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -147.41 160.25 42.78 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.428 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -117.64 147.97 42.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.474 0.654 . . . . 10.0 111.141 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 -44.74 5.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.13 -0.941 . . . . 10.0 109.251 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.09 -4.9 68.4 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.121 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.87 39.7 9.28 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.877 -0.677 . . . . 10.0 112.728 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.1 p-90 -96.29 -15.02 22.18 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.779 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.19 -43.37 74.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.916 0.388 . . . . 10.0 109.969 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -65.73 -25.41 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.499 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -82.64 -33.26 27.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.944 0.402 . . . . 10.0 109.922 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.88 -40.42 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.395 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.24 -13.22 62.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.559 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -94.17 -30.69 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.884 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 -44.51 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HE3' ' HB1' ' A' ' 42' ' ' ALA . 33.2 tttp -99.27 13.37 33.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.95 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 69.98 173.14 0.3 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.72 34.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.017 0.437 . . . . 10.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.94 104.28 15.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.67 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -57.74 -46.04 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.353 -0.84 . . . . 10.0 111.398 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.4 94.02 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.106 -0.569 . . . . 10.0 112.95 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' HE3' ' A' ' 36' ' ' LYS . . . -72.14 -44.2 63.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 10.0 110.995 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.02 93.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.086 0.47 . . . . 10.0 111.945 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.9 -9.7 59.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.338 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.9 m -65.43 -33.98 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 pt -111.03 17.64 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.743 0.645 . . . . 10.0 112.743 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.5 mm-40 68.54 -41.6 0.46 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.553 0.946 . . . . 10.0 113.553 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 75.6 m-85 -64.87 84.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.076 0.465 . . . . 10.0 112.015 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.66 -15.16 13.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.424 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -110.87 -73.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.977 -0.449 . . . . 10.0 111.977 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -101.39 104.45 33.71 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 10.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 95.5 Cg_endo -86.16 157.21 9.78 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.545 2.163 . . . . 10.0 112.526 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 23.1 Cg_exo -65.2 -12.29 34.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.784 2.322 . . . . 10.0 111.922 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -79.94 -15.16 57.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.858 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.72 140.66 31.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.693 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 10.3 t0 -65.75 122.0 78.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.489 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.577 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 37.7 Cg_endo -65.09 -21.62 62.81 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.069 2.513 . . . . 10.0 113.602 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -93.99 -40.89 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.779 0.324 . . . . 10.0 110.584 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 20.1 tp -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.34 -16.49 20.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.057 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 48.2 mm-40 -77.26 -12.54 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.855 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -53.98 -34.0 58.56 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.68 0.276 . . . . 10.0 111.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.0 -45.27 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.743 0.306 . . . . 10.0 110.686 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -37.19 85.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.555 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.82 -44.0 90.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.61 -40.43 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -63.31 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.151 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -22.25 62.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.125 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 42.0 ttm -75.72 -13.01 60.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.255 0.55 . . . . 10.0 110.361 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.6 20.38 15.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.099 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -106.44 125.8 51.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -142.9 137.57 29.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.85 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -119.95 146.9 45.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.017 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.01 16.34 10.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.89 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 4.51 9.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 27.7 72.64 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 111.445 -0.662 . . . . 10.0 111.445 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 30.4 p-90 -96.88 -19.25 18.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 39.5 tp -69.61 -43.13 73.39 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' B' ' 34' ' ' GLN . 7.6 t -63.79 -21.73 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.628 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -93.3 -27.51 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.262 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -63.96 -40.64 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.728 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.68 -9.29 58.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.942 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 30' ' ' THR . 35.1 mm-40 -95.35 -38.95 10.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.954 0.407 . . . . 10.0 110.401 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -78.6 -44.36 24.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.858 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -105.23 15.48 27.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.905 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 64.55 -175.76 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.375 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.76 35.07 0.67 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.077 0.465 . . . . 10.0 110.858 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.01 95.61 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.56 -41.16 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.566 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.19 -47.65 89.77 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.95 93.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.703 0.287 . . . . 10.0 111.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.71 93.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.402 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.24 -38.32 90.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 10.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.9 -29.75 67.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -56.53 -41.83 77.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.174 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 pt -103.64 1.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 13.5 mm-40 70.85 -42.82 0.54 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.575 0.75 . . . . 10.0 112.798 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' TYR . . . . . 0.641 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 60.0 m-85 -61.27 93.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 111.266 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -15.02 4.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.421 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -131.85 11.68 4.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.578 0.228 . . . . 10.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.696 -0.668 . . . . 10.0 109.383 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.653 -0.579 . . . . 10.0 111.653 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -89.81 109.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 87.8 Cg_endo -82.52 159.13 16.89 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.381 2.054 . . . . 10.0 112.226 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 27.5 Cg_exo -63.29 -12.98 33.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.781 2.321 . . . . 10.0 111.75 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.62 -22.04 54.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.706 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.73 137.47 38.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.41 126.5 86.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.454 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 36.0 Cg_endo -64.33 -19.03 65.2 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.863 2.375 . . . . 10.0 112.87 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -92.27 -28.12 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.776 0.322 . . . . 10.0 111.259 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.4 -28.16 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 10.0 110.68 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -77.89 -23.34 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.299 0.571 . . . . 10.0 110.476 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 35.4 mm-40 -78.76 -13.31 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.652 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -60.4 -30.23 69.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.156 0.503 . . . . 10.0 109.865 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.57 -48.01 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.671 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -32.28 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.5 -44.2 89.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.526 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mmm -65.33 -39.78 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.124 0.488 . . . . 10.0 109.959 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.91 -43.58 95.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.357 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t -67.66 -31.71 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.192 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -67.64 -29.81 69.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.331 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.52 19.81 6.44 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -110.6 123.37 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.457 . . . . 10.0 110.304 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -152.65 153.66 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.379 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.16 156.97 17.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.016 0.436 . . . . 10.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -110.41 -28.26 8.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.728 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 6.96 48.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.24 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 37.68 56.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.315 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 67.5 p-90 -96.58 -34.73 11.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.45 -39.37 85.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 10.0 110.067 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -63.1 -14.42 48.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.103 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -94.51 -40.54 9.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.66 -32.18 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.31 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -11.34 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.255 0.55 . . . . 10.0 110.925 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.42 -40.28 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.17 0.509 . . . . 10.0 110.334 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 -33.98 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.186 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -111.6 18.82 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.73 -177.29 0.21 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.649 0.593 . . . . 10.0 111.773 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -92.76 25.21 3.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.835 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.18 101.57 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -54.43 -40.35 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.461 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.11 54.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.958 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.95 98.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.693 0.283 . . . . 10.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.03 83.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.71 -32.85 74.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.55 -35.28 73.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.27 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -58.86 -31.3 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.613 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' B' ' 47' ' ' ILE . 1.6 pp -101.31 0.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.669 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 68.92 -53.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.812 1.041 . . . . 10.0 113.812 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.655 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 74.2 m-85 -55.65 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.243 0.544 . . . . 10.0 112.142 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.1 -45.91 3.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.14 -57.19 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.356 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.714 -0.66 . . . . 10.0 110.554 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.837 -0.505 . . . . 10.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -102.1 102.09 22.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.7 0.286 . . . . 10.0 110.358 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 89.0 Cg_endo -78.91 151.09 24.06 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.391 2.061 . . . . 10.0 112.385 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -64.61 -10.2 23.62 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.928 2.419 . . . . 10.0 112.161 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -76.27 -25.33 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.117 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.14 33.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.577 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.13 128.38 85.16 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.78 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 25.5 Cg_endo -60.51 -22.35 71.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.158 2.572 . . . . 10.0 113.348 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -93.2 -27.65 16.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.857 0.36 . . . . 10.0 110.244 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 tp -69.96 -37.34 75.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.37 -20.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.184 0.516 . . . . 10.0 110.17 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 23.3 mm-40 -77.06 -13.96 59.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.213 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -63.22 -29.97 71.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.277 0.561 . . . . 10.0 109.82 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.42 -42.99 52.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.95 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -28.87 68.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.643 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -61.07 -37.2 81.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.561 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.3 mmm -67.57 -46.09 73.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.02 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.237 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -27.74 68.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 46.3 ttm -82.27 -14.7 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.05 10.83 41.46 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.033 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.93 122.8 44.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.41 0.624 . . . . 10.0 110.97 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -154.87 156.79 36.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -99.58 169.38 9.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 10.0 111.523 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -48.8 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.176 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.47 7.7 68.75 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.594 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.08 44.98 16.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.487 -0.387 . . . . 10.0 113.05 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 39.6 p-90 -95.67 -27.34 15.34 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.815 0.308 . . . . 10.0 111.541 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.77 -39.31 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.007 0.432 . . . . 10.0 110.315 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -61.41 -27.77 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.287 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -83.37 -38.15 22.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.371 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.17 -44.44 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.704 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -16.0 63.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -93.76 -20.63 19.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.717 0.294 . . . . 10.0 110.424 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 25' ' ' GLU . 1.2 m -100.07 -31.59 11.35 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.862 0.363 . . . . 10.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -106.24 12.85 29.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 70.84 175.03 0.3 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.634 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -86.72 27.78 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.126 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.98 115.72 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.458 . . . . 10.0 110.679 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -65.51 -36.56 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.32 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.24 -54.61 36.44 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.149 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.69 87.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.995 0.426 . . . . 10.0 110.602 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.96 -51.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.153 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.15 -40.75 96.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.247 0.546 . . . . 10.0 111.689 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -67.9 -17.45 64.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.21 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.3 m -63.95 -37.19 86.5 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.923 1.082 . . . . 10.0 113.923 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 47' ' ' ILE . 41.6 pt -125.27 26.41 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -176.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.655 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 mm100 71.33 -53.88 0.68 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.245 0.618 . . . . 10.0 112.511 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -47.67 110.57 0.33 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.35 0.595 . . . . 10.0 112.05 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -144.15 -69.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.354 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -77.48 -40.14 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.157 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 179.47 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 112.107 -0.397 . . . . 10.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.28 96.43 35.23 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.31 151.5 26.38 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.412 2.075 . . . . 10.0 112.63 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.87 -6.09 18.38 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.379 2.053 . . . . 10.0 111.177 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -84.71 -0.77 54.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.88 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.29 137.04 46.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.357 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.86 128.96 87.32 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.038 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.47 -25.27 75.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.175 2.584 . . . . 10.0 112.698 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 60.8 mtm180 -86.58 -28.36 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 10.0 110.271 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 tp -68.81 -35.84 77.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.726 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -78.34 -14.53 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.484 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 4.0 mm-40 -69.1 -18.68 64.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.026 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -59.98 -29.12 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.1 -43.85 18.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.162 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -36.05 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.673 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.03 -41.73 97.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.12 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 mmt -64.99 -45.41 85.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.035 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.67 -43.05 98.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -74.53 -20.47 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.291 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.57 -10.62 59.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.38 11.42 59.64 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.78 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -102.68 121.66 42.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.842 0.83 . . . . 10.0 110.584 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -157.28 140.02 15.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.566 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -107.98 165.99 11.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' HB ' ' B' ' 35' ' ' THR . 0.0 OUTLIER -116.76 4.19 13.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.558 0.947 . . . . 10.0 113.558 -177.394 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -117.94 -5.73 13.29 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 119.747 -1.216 . . . . 10.0 112.394 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 83.82 28.61 34.41 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 56.9 p-90 -96.93 -29.61 13.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 48.2 tp -72.96 -37.31 67.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -66.56 -20.26 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.428 0.632 . . . . 10.0 110.112 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -91.16 -31.1 16.33 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.897 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.112 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.69 -11.14 60.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.267 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -94.88 -34.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.71 12.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -91.21 5.94 47.11 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.391 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 69.85 173.61 0.3 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -82.6 46.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.283 0.564 . . . . 10.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.5 102.03 13.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.387 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.32 -41.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.532 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.34 -50.7 60.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.902 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.23 99.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.913 -0.169 . . . . 10.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.49 79.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.708 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.92 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 10.0 111.471 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -76.92 -8.0 56.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.563 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.5 m -81.79 -24.97 35.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.841 0.312 . . . . 10.0 111.841 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 pt -115.34 18.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.723 -0.391 . . . . 10.0 111.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 71.3 -50.17 0.69 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.302 0.641 . . . . 10.0 112.352 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 84.2 m-85 -62.23 100.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.937 0.399 . . . . 10.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -112.22 -40.64 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.103 0.478 . . . . 10.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -102.15 -70.47 0.75 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.368 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.815 -0.612 . . . . 10.0 109.657 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.806 -0.518 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -93.89 108.13 32.75 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.63 0.252 . . . . 10.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 75.2 Cg_endo -90.39 142.44 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.916 2.41 . . . . 10.0 112.597 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 15.7 Cg_exo -70.3 -4.2 13.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.483 2.122 . . . . 10.0 111.949 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.93 -27.29 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.12 143.69 27.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.72 131.62 89.45 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.563 -0.289 . . . . 10.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.68 -22.8 74.25 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 10.0 112.74 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.99 -15.93 35.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.37 . . . . 10.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.94 -32.27 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 10.0 109.886 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.0 tt -89.67 -8.92 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.72 -23.47 65.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.32 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -31.78 71.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.032 0.444 . . . . 10.0 110.314 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.29 -47.11 52.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.975 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.565 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -60.83 -46.42 90.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.019 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mmm -61.83 -36.64 81.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 10.0 109.887 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.49 -43.25 90.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.118 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -68.02 -22.86 64.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.819 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mmm -81.6 -4.96 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.44 . . . . 10.0 110.3 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.27 28.71 43.47 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.216 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.69 122.85 46.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -141.58 158.45 43.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.78 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' B' ' 28' ' ' TRP . 20.5 p-10 -120.44 116.88 26.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.267 0.556 . . . . 10.0 111.268 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.31 -43.11 58.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.9 8.56 79.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 46.79 79.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.222 -0.513 . . . . 10.0 112.522 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 53.7 p-90 -96.45 -24.82 15.93 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.647 -0.325 . . . . 10.0 111.513 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.4 -39.3 32.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.836 0.35 . . . . 10.0 110.738 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.485 HG23 ' HG2' ' B' ' 31' ' ' ARG . 9.7 t -59.14 -26.44 64.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.326 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' B' ' 30' ' ' THR . 0.5 OUTLIER -88.46 -30.8 19.14 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.33 0.586 . . . . 10.0 109.882 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.54 -42.23 98.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.253 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -70.37 -15.74 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.429 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 30' ' ' THR . 81.9 mm-40 -92.87 -19.51 21.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.92 0.391 . . . . 10.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.452 ' HB ' ' OE2' ' A' ' 25' ' ' GLU . 1.3 p -98.41 -38.26 9.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.677 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -105.72 12.41 31.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.173 -0.211 . . . . 10.0 110.993 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.77 176.02 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.874 0.734 . . . . 10.0 111.376 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -85.64 45.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.253 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -100.24 109.43 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.841 0.353 . . . . 10.0 110.197 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -64.8 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.475 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.72 55.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.4 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.24 91.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.605 0.241 . . . . 10.0 111.19 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 -51.64 66.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.99 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.89 -45.06 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.478 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.43 -36.43 78.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 112.017 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.2 m -60.6 -33.83 73.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.004 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 pt -105.1 5.51 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 7.5 mm-40 71.8 -41.34 0.5 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.459 0.704 . . . . 10.0 112.643 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -64.32 83.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.121 0.486 . . . . 10.0 111.286 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -111.44 -24.17 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.497 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -121.11 -63.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.24 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.582 -0.723 . . . . 10.0 109.647 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.155 -0.378 . . . . 10.0 112.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -110.77 104.85 56.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 110.557 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.28 162.13 25.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.629 2.219 . . . . 10.0 111.906 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 -6.46 16.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.76 2.307 . . . . 10.0 111.897 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.86 -8.57 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.039 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.58 131.19 37.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.266 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.74 127.92 93.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.516 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.19 -25.12 76.77 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.014 2.476 . . . . 10.0 113.108 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -86.1 -28.71 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.414 . . . . 10.0 110.213 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 tt -73.05 -26.93 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.57 -13.69 62.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.393 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 m -71.0 -24.95 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.159 0.504 . . . . 10.0 109.857 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.39 -46.81 15.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.129 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.74 74.4 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.042 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -63.27 -37.41 87.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.637 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.9 mmm -66.13 -41.8 89.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.591 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.2 -40.18 95.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.102 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -72.47 -21.4 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.907 0.384 . . . . 10.0 111.293 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 mmm -75.97 -19.95 58.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.47 18.84 8.74 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.271 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.21 123.06 42.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -135.04 154.5 51.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' OD2' ' HA2' ' A' ' 27' ' ' GLY . 5.0 p-10 -121.39 143.53 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.961 0.41 . . . . 10.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -49.55 4.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.134 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 -7.48 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' HA2' ' OD2' ' A' ' 24' ' ' ASP . . . 94.81 29.19 9.38 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.296 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -72.6 -21.31 61.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.36 -0.494 . . . . 10.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.6 tp -62.82 -52.74 61.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -63.71 -29.43 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.563 0.221 . . . . 10.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -72.4 -42.03 65.64 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -33.4 75.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 96.2 mt -71.43 -15.22 62.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -95.41 -20.1 19.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 p -98.56 -42.74 7.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.042 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -104.08 12.99 33.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.478 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.2 t30 66.62 -178.05 0.2 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.091 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -88.29 25.4 1.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 10.0 110.177 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.78 97.01 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.271 0.557 . . . . 10.0 110.647 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.7 -40.21 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.984 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.04 -25.07 69.16 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.181 -0.533 . . . . 10.0 112.804 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.79 -43.06 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.628 -0.336 . . . . 10.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.15 93.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.59 -34.26 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.113 0.482 . . . . 10.0 110.747 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.27 -25.81 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.052 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.7 -31.53 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.781 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -108.54 9.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.704 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -47.06 0.66 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -53.78 100.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.099 0.476 . . . . 10.0 112.213 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -111.59 -31.77 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -117.36 -57.69 2.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.481 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 t60 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.471 -0.776 . . . . 10.0 109.769 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.839 -0.504 . . . . 10.0 111.839 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -106.95 101.18 36.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 16.0 Cg_exo -68.24 143.79 60.13 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.556 2.17 . . . . 10.0 111.9 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -63.02 -4.39 6.09 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.013 2.475 . . . . 10.0 112.844 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -87.53 -8.35 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.924 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.19 139.04 30.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.473 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.87 124.94 89.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.22 -19.55 68.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.976 2.45 . . . . 10.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -91.5 -24.53 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.993 0.425 . . . . 10.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.73 -38.05 67.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.135 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.16 -24.39 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 10.0 110.088 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -74.38 -13.63 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.76 -27.63 69.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.271 0.558 . . . . 10.0 109.935 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 -42.69 18.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.219 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -39.66 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.722 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.08 -36.52 72.95 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.566 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.16 -43.33 99.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.807 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.28 -39.25 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.472 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -67.91 -23.46 65.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.107 0.479 . . . . 10.0 110.785 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 77.4 mmm -84.86 -7.74 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.246 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.43 1.68 64.14 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.127 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.4 123.41 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.217 0.532 . . . . 10.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 142.18 24.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -105.24 153.53 21.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.473 0.654 . . . . 10.0 111.553 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -43.97 5.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.2 79.19 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.222 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 38.64 29.2 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 121.303 -0.475 . . . . 10.0 113.083 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -96.55 -15.71 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 10.0 112.789 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.2 tp -70.48 -43.41 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.034 0.445 . . . . 10.0 110.042 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -67.03 -13.11 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.457 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -93.73 -44.18 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.115 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.52 -35.44 75.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.18 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.81 -12.69 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.699 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.29 -43.2 8.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.733 0.302 . . . . 10.0 110.651 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -44.84 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 10.0 112.15 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -95.32 8.36 43.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.656 0.265 . . . . 10.0 111.135 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 69.99 171.39 0.31 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -81.12 38.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.223 0.535 . . . . 10.0 110.742 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -84.36 90.67 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.923 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.6 mt -53.39 -47.9 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.837 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.67 -37.69 93.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.578 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' B' ' 39' ' ' ASP . . . -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.944 0.402 . . . . 10.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.69 94.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -33.14 75.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 10.0 110.814 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.0 -20.85 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.202 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.3 m -62.22 -32.15 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.346 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' H ' ' B' ' 49' ' ' TYR . 38.8 pt -114.58 2.18 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.958 -0.297 . . . . 10.0 111.407 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 68.77 -14.17 0.29 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.406 ' H ' HG13 ' B' ' 47' ' ' ILE . 61.1 m-85 -77.94 69.97 4.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.191 0.52 . . . . 10.0 110.953 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 -18.48 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.547 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -94.81 -50.2 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.054 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 -179.567 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.587 -0.605 . . . . 10.0 111.587 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -74.72 124.19 89.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.79 0.295 . . . . 10.0 110.637 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.33 166.52 22.35 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.636 2.224 . . . . 10.0 111.58 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.19 -17.94 22.01 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.732 2.288 . . . . 10.0 112.577 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -70.98 -19.19 62.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.67 132.79 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.6 126.65 92.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.81 -20.32 70.89 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.022 2.481 . . . . 10.0 112.952 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -88.56 -41.43 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.817 0.341 . . . . 10.0 110.692 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.45 -37.61 87.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.201 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -75.41 -22.74 16.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 10.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.05 -13.48 60.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.489 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.16 -29.21 69.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 10.0 109.871 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.07 -47.22 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.73 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -37.81 87.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.616 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -58.88 -40.7 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.981 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mmm -66.01 -40.62 91.26 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.033 0.445 . . . . 10.0 110.158 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.91 -41.37 91.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.415 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -68.81 -14.47 63.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.168 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.9 ttm -90.24 -3.14 58.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.277 0.561 . . . . 10.0 110.02 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.97 57.15 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.994 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -109.34 123.62 49.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.024 0.44 . . . . 10.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 169.39 18.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -120.71 156.28 32.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.144 0.497 . . . . 10.0 111.019 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -49.54 3.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.58 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.88 3.13 84.72 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.914 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.06 47.09 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.558 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 28.8 p-90 -96.49 -25.07 15.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.84 -39.89 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 10.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -64.78 -22.42 66.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.123 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -94.65 -31.76 13.69 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.58 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.94 -40.48 89.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.66 -7.61 51.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.75 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -88.67 -34.17 17.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.699 0.285 . . . . 10.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -98.87 -9.86 23.68 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -126.42 8.92 7.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.633 0.254 . . . . 10.0 110.68 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 69.0 168.11 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.854 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.94 36.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.916 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.18 106.5 14.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.94 0.4 . . . . 10.0 110.186 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.33 -39.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.539 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.72 -55.6 26.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.189 -0.529 . . . . 10.0 112.534 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.53 79.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.345 0.117 . . . . 10.0 110.992 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.24 74.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.67 -33.28 74.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.971 0.415 . . . . 10.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.2 -31.54 67.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.762 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -61.22 -33.03 72.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.663 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 pt -106.71 6.51 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.761 -0.376 . . . . 10.0 111.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 3.8 mm-40 69.5 -38.58 0.41 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.38 79.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 10.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -100.24 -19.4 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -114.1 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.858 0.361 . . . . 10.0 110.458 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.511 -0.635 . . . . 10.0 111.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -107.32 98.36 22.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.794 0.33 . . . . 10.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -81.0 169.92 15.76 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.799 2.332 . . . . 10.0 112.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.16 -12.02 21.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.868 2.379 . . . . 10.0 112.176 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -70.27 -25.08 63.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.367 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.737 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.04 129.09 89.85 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.93 -25.2 74.16 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.706 2.271 . . . . 10.0 112.74 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -87.07 -24.49 24.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 10.0 110.248 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.12 -42.34 60.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.076 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -71.36 -24.21 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.432 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.64 -15.33 63.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -68.13 -28.07 66.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.21 0.529 . . . . 10.0 109.991 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.59 -48.22 23.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.282 0.563 . . . . 10.0 109.508 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -29.05 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.5 -44.91 93.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.264 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.0 mmm -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.928 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.01 -39.09 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.706 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -68.85 -23.99 64.3 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 111.355 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 80.4 mmm -83.49 -10.14 58.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.99 25.45 11.33 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.976 -0.63 . . . . 10.0 112.186 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.99 123.56 48.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 10.0 110.752 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.01 145.09 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.87 178.18 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.8 -0.36 . . . . 10.0 111.447 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -104.77 -60.78 1.55 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.55 -15.32 61.53 Favored Glycine 0 N--CA 1.463 0.444 0 N-CA-C 114.828 0.691 . . . . 10.0 114.828 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 38.52 4.77 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.281 -0.728 . . . . 10.0 111.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 42.5 p-90 -95.2 -23.66 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.001 -0.28 . . . . 10.0 111.696 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.8 -44.65 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -70.55 -16.27 62.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.303 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -90.65 -41.0 11.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.202 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.53 -35.07 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.2 -8.51 55.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.615 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -94.42 -39.16 10.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 10.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -86.03 -31.21 22.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.182 -0.463 . . . . 10.0 112.128 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -111.25 11.63 21.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.481 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.0 t30 70.32 168.74 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.76 0.662 . . . . 10.0 111.571 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.31 35.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.863 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -82.96 108.83 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.423 ' H ' HG13 ' B' ' 40' ' ' ILE . 14.0 mt -61.65 -34.41 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.62 62.22 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.907 -0.664 . . . . 10.0 111.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.09 77.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.622 0.248 . . . . 10.0 111.045 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.42 58.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.81 -33.88 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.029 0.442 . . . . 10.0 111.192 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.58 -38.1 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.253 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -54.18 -39.9 67.06 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.14 9.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.36 -40.27 0.47 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.697 . . . . 10.0 112.754 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 87.4 m-85 -60.28 99.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 10.0 111.042 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -119.93 -42.75 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -78.59 -69.84 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.727 -0.654 . . . . 10.0 109.618 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.004 -0.438 . . . . 10.0 112.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -93.49 112.29 55.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.736 0.303 . . . . 10.0 110.194 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 74.2 Cg_endo -78.31 148.27 23.75 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.629 2.219 . . . . 10.0 112.562 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 16.8 Cg_exo -68.03 -10.44 28.88 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.686 2.258 . . . . 10.0 111.885 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -85.05 -5.08 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.488 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 141.44 28.63 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.178 -0.465 . . . . 10.0 109.814 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.41 118.72 66.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 121.098 -0.241 . . . . 10.0 110.763 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.21 -22.69 58.24 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.139 2.559 . . . . 10.0 112.984 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -87.66 -39.98 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 10.0 110.658 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.47 -41.81 92.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.1 tt -68.99 -18.99 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 10.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.35 -13.63 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.365 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.7 m -61.57 -31.84 71.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 10.0 110.233 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.21 -44.34 53.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.989 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -36.87 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -60.36 -36.64 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.325 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' SER . 87.0 mmm -64.58 -36.13 83.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 10.0 110.136 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.67 -43.97 91.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.44 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -26.63 66.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 10.0 110.58 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 ttm -75.64 -18.34 59.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.613 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.72 11.44 40.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.394 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.42 123.34 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 10.0 110.013 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.55 137.61 26.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.214 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CG ' ' HB3' ' A' ' 29' ' ' LEU . 19.5 p-10 -114.85 121.71 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.213 0.53 . . . . 10.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -42.95 16.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.759 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.07 2.37 81.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.496 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.23 39.19 71.89 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.129 -0.558 . . . . 10.0 112.046 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 54.3 p-90 -91.22 -34.01 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.898 0.332 . . . . 10.0 111.898 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 24' ' ' ASP . 19.5 tp -71.78 -36.07 70.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.766 0.317 . . . . 10.0 110.264 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -21.56 64.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.245 0.545 . . . . 10.0 110.478 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -93.99 -35.08 12.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.759 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.06 -37.88 86.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.65 -12.13 59.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -95.57 -36.28 11.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.346 . . . . 10.0 110.996 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -84.29 -43.25 15.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.762 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 11.07 36.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.688 0.28 . . . . 10.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 67.26 177.53 0.24 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.042 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -87.16 36.86 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.854 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.55 102.26 15.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.88 -35.94 63.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.368 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.34 75.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.283 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.43 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.734 0.302 . . . . 10.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.76 75.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.818 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.0 -40.56 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.94 -31.28 72.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -34.8 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' B' ' 47' ' ' ILE . 33.0 pt -109.48 5.12 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.576 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.43 -44.41 0.54 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.847 0.859 . . . . 10.0 112.976 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -50.65 112.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 10.0 112.08 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -30.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.715 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -107.19 -55.09 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.699 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.737 -0.649 . . . . 10.0 109.797 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.49 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.628 -0.589 . . . . 10.0 111.628 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -94.45 104.03 12.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 4.4 Cg_exo -76.6 139.15 20.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.63 2.22 . . . . 10.0 111.973 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 25.9 Cg_exo -64.08 -11.16 26.12 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.618 2.212 . . . . 10.0 112.623 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.53 -16.08 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.153 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.04 159.81 23.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.398 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 11.8 t0 -74.87 117.62 64.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.018 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.52 -15.12 46.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.72 2.28 . . . . 10.0 113.359 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -93.71 -38.12 11.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 10.0 110.335 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 42.9 tp -65.91 -35.37 80.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 tt -69.33 -16.83 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.53 -12.8 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.356 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 6.5 m -60.24 -33.51 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 10.0 110.278 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.23 -42.9 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.729 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -38.23 89.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.446 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.66 -39.75 89.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 88.7 mmm -66.31 -37.6 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.124 0.488 . . . . 10.0 110.044 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.626 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -69.26 -13.33 62.33 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.3 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.7 ttm -82.87 -9.34 59.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 10.0 109.635 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.3 23.36 27.07 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.301 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -122.27 122.12 38.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.431 0.634 . . . . 10.0 110.256 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -146.56 140.74 26.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.882 -1.053 . . . . 10.0 108.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.47 140.82 29.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.347 0.594 . . . . 10.0 111.307 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.95 -38.34 9.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.641 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.74 10.43 72.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.923 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.98 37.84 93.58 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 121.298 -0.477 . . . . 10.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 62.0 p-90 -96.3 -26.0 15.55 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 tp -73.75 -37.36 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 10.0 110.132 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -65.18 -20.17 66.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.103 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -89.51 -28.44 19.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.635 0.731 . . . . 10.0 109.059 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.95 -42.69 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.62 -13.04 62.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.505 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -93.31 -26.1 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.891 0.377 . . . . 10.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -99.43 -25.8 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 10.0 112.129 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.05 14.85 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 10.0 111.104 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.65 166.91 0.24 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.537 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -81.25 54.94 2.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 106.89 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.44 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.7 mt -57.09 -49.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.35 -46.06 93.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.573 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.641 0.258 . . . . 10.0 110.962 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.01 90.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.092 0.472 . . . . 10.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.55 -34.59 78.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.859 0.362 . . . . 10.0 111.845 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.8 m -65.74 -35.59 81.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.272 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' A' ' 47' ' ' ILE . 34.9 pt -103.07 -10.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 65.57 -7.22 0.35 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -78.86 87.28 4.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.953 0.406 . . . . 10.0 110.216 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 -20.22 5.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mppt? -118.99 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.751 -0.642 . . . . 10.0 109.574 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -98.75 109.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.969 0.385 . . . . 10.0 110.498 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 57.7 Cg_endo -72.31 147.49 47.46 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.414 2.076 . . . . 10.0 112.247 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -63.77 -15.1 46.89 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.832 2.355 . . . . 10.0 112.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.39 -2.69 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.011 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.62 122.94 31.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.63 125.2 84.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 29.1 Cg_endo -62.17 -19.0 65.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.072 2.515 . . . . 10.0 113.52 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 58.6 mtm180 -93.86 -32.55 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.045 0.45 . . . . 10.0 110.128 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.05 -34.33 77.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.151 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.13 -14.65 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.28 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 13.3 mm-40 -71.33 -17.24 62.45 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.993 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.4 m -58.17 -32.86 68.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.051 0.453 . . . . 10.0 110.663 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.63 -44.98 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.943 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -37.58 86.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.796 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -57.24 -46.2 83.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.026 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 13' ' ' SER . 91.1 mmm -64.06 -43.08 96.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 10.0 110.243 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.07 -50.31 72.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.765 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -64.3 -25.56 68.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.358 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 48.7 ttm -77.07 -16.82 59.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.374 0.607 . . . . 10.0 110.143 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.03 13.74 33.02 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.362 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.175 0.512 . . . . 10.0 109.666 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -160.94 126.19 3.73 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.263 -0.88 . . . . 10.0 108.933 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -104.36 173.61 6.23 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.802 -0.359 . . . . 10.0 110.646 -179.202 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.6 6.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.36 -16.63 80.25 Favored Glycine 0 C--O 1.234 0.109 0 C-N-CA 120.679 -0.772 . . . . 10.0 113.319 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 92.88 31.28 8.73 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 111.379 -0.689 . . . . 10.0 111.379 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.8 p-90 -91.89 -31.91 15.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.062 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.45 -35.45 70.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 10.0 109.89 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -68.43 -17.94 64.32 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.436 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -94.11 -36.68 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 3.8 tp -58.14 -39.73 79.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.912 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.98 -10.09 50.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.835 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.44 -54.94 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.993 0.425 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -34.23 56.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.387 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 3.6 mptp? -95.95 4.72 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.207 -0.197 . . . . 10.0 111.018 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 73.49 163.53 0.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.952 0.782 . . . . 10.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.72 36.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.42 101.36 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 10.0 109.851 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.42 -42.47 80.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -48.43 84.21 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.128 -0.558 . . . . 10.0 112.227 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 10.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.88 91.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 10.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 4.4 mp -59.84 -41.14 90.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.599 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.45 -21.26 58.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.345 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.4 m -63.46 -34.25 77.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.278 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' B' ' 47' ' ' ILE . 24.0 pt -110.72 17.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 34.2 mm-40 70.5 -51.2 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.18 105.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 10.0 111.163 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 m -130.36 -27.62 2.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.735 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -100.99 -49.91 3.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.73 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.907 -0.568 . . . . 10.0 109.595 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.679 -0.568 . . . . 10.0 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.66 111.12 18.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.766 0.317 . . . . 10.0 110.703 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 88.3 Cg_endo -89.13 163.08 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.752 2.301 . . . . 10.0 112.103 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.27 -2.2 6.69 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.914 2.409 . . . . 10.0 112.392 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -81.07 -14.35 57.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.966 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.78 146.38 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.342 . . . . 10.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -77.4 129.9 76.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.489 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.82 -22.52 74.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.24 2.626 . . . . 10.0 113.548 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -89.86 -35.33 15.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 10.0 110.181 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.04 -39.34 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 tt -77.02 -7.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.152 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.41 -16.47 45.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.777 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -61.55 -27.93 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.907 0.384 . . . . 10.0 110.686 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.02 -49.4 24.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.382 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -33.8 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -60.44 -45.84 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.726 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.3 mmm -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.43 -45.91 85.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.439 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -26.65 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 33.0 ttm -71.48 -21.53 61.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.75 10.6 26.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.88 123.15 47.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 10.0 110.178 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -149.76 141.73 23.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.739 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -102.88 148.8 25.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.465 0.65 . . . . 10.0 111.411 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 -40.81 4.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.889 -1.05 . . . . 10.0 109.782 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.6 -4.34 89.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.369 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' B' ' 31' ' ' ARG . . . 79.44 36.95 25.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.504 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 51.8 p-90 -95.75 -25.05 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.672 0.272 . . . . 10.0 111.587 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -84.21 -37.59 21.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.054 0.454 . . . . 10.0 110.196 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -65.73 -26.84 67.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.424 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 27' ' ' GLY . 5.4 mtm180 -90.09 -16.89 28.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.316 0.579 . . . . 10.0 109.618 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.21 -40.16 74.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.993 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.89 -13.55 62.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.757 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -90.76 -24.24 20.42 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.7 p -100.77 -40.98 7.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -101.11 19.61 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.571 0.224 . . . . 10.0 111.097 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.64 179.74 0.23 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.463 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -96.16 30.34 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.67 111.06 20.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 110.755 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.44 -43.15 93.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.488 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.19 -55.76 27.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.218 -0.515 . . . . 10.0 112.701 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.38 90.98 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.064 0.459 . . . . 10.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.51 -24.22 60.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.279 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -60.49 -33.27 72.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 10.0 112.01 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 47' ' ' ILE . 21.9 pt -104.61 1.09 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.94 19.48 10.74 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.48 24.7 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.388 0.613 . . . . 10.0 109.629 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -27.28 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.477 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -82.1 -49.39 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.131 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.195 -0.907 . . . . 10.0 110.625 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.966 -0.454 . . . . 10.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.34 109.93 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.619 0.209 . . . . 10.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 1' ' ' GLY . 93.9 Cg_endo -88.65 157.14 6.31 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.843 2.362 . . . . 10.0 112.415 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.47 -15.53 41.71 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.946 2.431 . . . . 10.0 112.236 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -74.04 -18.61 60.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.05 143.34 34.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.9 122.19 86.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.628 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.02 -20.65 72.05 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.814 2.343 . . . . 10.0 112.846 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -89.65 -31.73 17.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.391 . . . . 10.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -67.76 -39.43 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -71.55 -21.27 21.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.003 0.43 . . . . 10.0 110.423 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.72 -13.74 61.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.37 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -66.46 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.047 0.451 . . . . 10.0 110.596 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.71 -44.34 56.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.57 69.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.325 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -59.2 -48.21 82.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.449 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.56 -42.43 95.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.199 0.523 . . . . 10.0 110.05 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.94 -40.46 93.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.845 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -74.46 -26.97 60.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.0 ttm -75.56 -14.01 60.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.468 0.652 . . . . 10.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.49 4.87 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.974 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -137.12 123.23 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -147.79 170.86 16.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.095 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -114.92 159.36 20.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.335 0.588 . . . . 10.0 110.545 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -46.93 3.44 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.642 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.86 2.91 82.66 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.879 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 42.86 25.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.598 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 69.4 p-90 -95.86 -28.41 14.73 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.639 -0.33 . . . . 10.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -72.8 -36.64 67.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.021 0.439 . . . . 10.0 110.11 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.373 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -90.4 -30.35 17.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.83 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.79 -43.66 98.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.55 -7.45 20.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.77 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -92.86 -40.74 10.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.288 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.0 p -98.39 -4.6 34.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 10.0 111.96 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.91 6.06 9.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 69.53 169.32 0.3 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -85.89 41.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.016 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.23 112.33 24.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.185 0.517 . . . . 10.0 110.72 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.63 -49.2 85.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.623 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.43 -47.65 81.69 Favored Glycine 0 C--N 1.329 0.19 0 CA-C-N 116.006 -0.543 . . . . 10.0 112.954 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.68 92.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.7 0.286 . . . . 10.0 111.518 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.04 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.803 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.75 -36.13 82.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.416 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.14 -24.46 54.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.176 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 m -66.23 -31.42 72.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.527 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 42.9 pt -104.37 4.29 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.636 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.562 ' HG2' ' CE2' ' B' ' 49' ' ' TYR . 10.6 mm100 71.95 -43.37 0.56 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.266 0.626 . . . . 10.0 112.454 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -69.09 90.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 10.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -116.58 -14.88 10.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.384 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -101.68 -50.75 3.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 10.0 110.488 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.619 -0.705 . . . . 10.0 109.771 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.91 106.43 40.9 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.799 0.333 . . . . 10.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.5 156.51 21.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.572 2.181 . . . . 10.0 111.503 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.42 -0.17 5.49 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.797 2.332 . . . . 10.0 112.767 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -80.05 -20.18 45.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.175 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 141.02 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.187 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.21 122.21 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.476 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.428 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 29.8 Cg_endo -63.66 -17.27 59.24 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.92 2.413 . . . . 10.0 113.892 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 66.9 mtm180 -92.8 -30.76 15.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.779 0.323 . . . . 10.0 110.313 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.67 -38.31 86.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.049 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 tt -72.31 -16.91 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.615 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 9' ' ' ARG . 60.0 mm-40 -73.07 -25.22 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -61.97 -33.02 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.811 0.339 . . . . 10.0 111.222 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.27 -42.78 62.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -28.05 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.957 0.408 . . . . 10.0 110.376 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -63.82 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.5 mmm -62.36 -42.24 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.45 -40.55 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.438 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -32.59 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.16 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 34.9 ttm -69.11 -29.09 67.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.373 0.606 . . . . 10.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.79 25.96 4.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.408 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.89 121.71 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -172.92 126.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.9 178.79 4.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.683 0.278 . . . . 10.0 111.11 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -44.67 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.727 -178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.51 63.99 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.333 -0.46 . . . . 10.0 113.043 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' B' ' 31' ' ' ARG . . . 98.36 21.69 16.63 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 8.2 p-90 -74.83 -30.75 61.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.555 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.57 -40.73 73.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 10.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 27' ' ' GLY . 1.3 t -69.61 -18.99 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 10.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 27' ' ' GLY . 28.2 mmm180 -88.0 -37.93 15.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.09 -36.49 81.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.97 -8.58 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.677 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -95.24 -47.7 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.986 -0.285 . . . . 10.0 111.118 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -79.81 -31.25 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 10.0 111.808 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -100.37 6.19 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.851 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.28 -177.92 0.22 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.518 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.62 34.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.304 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.79 103.51 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.188 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.33 -45.88 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.62 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -44.57 96.37 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.163 -0.541 . . . . 10.0 112.93 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.85 72.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 10.0 111.551 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.97 78.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.69 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.59 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -83.01 -7.24 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.641 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -65.63 -38.42 89.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.753 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 pt -115.77 17.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.798 -0.361 . . . . 10.0 111.933 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 73.49 -42.16 0.51 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.171 0.588 . . . . 10.0 112.025 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 93.5 m-85 -57.32 97.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 10.0 111.266 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.59 -39.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.12 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -84.6 -59.24 2.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.668 -0.682 . . . . 10.0 110.653 -179.498 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.85 -0.5 . . . . 10.0 111.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.01 119.58 54.98 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.542 0.171 . . . . 10.0 110.621 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.13 144.98 27.26 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.072 1.848 . . . . 10.0 111.631 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.16 -20.32 23.9 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.324 2.682 . . . . 10.0 113.178 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.87 -23.51 60.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.801 0.334 . . . . 10.0 111.017 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 137.17 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.07 120.2 67.65 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 37.4 Cg_endo -66.21 -17.37 54.41 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.894 2.396 . . . . 10.0 112.73 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -92.87 -38.42 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.994 0.426 . . . . 10.0 110.182 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.0 -36.54 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.32 -16.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 10.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 mm-40 -78.21 -13.19 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.281 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -62.37 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.46 -46.19 41.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.932 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -59.25 -40.51 86.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.8 mmm -64.64 -42.71 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.368 0.604 . . . . 10.0 109.689 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.11 -44.41 96.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.37 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 m -65.03 -28.1 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.803 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.9 mtm -79.17 -6.01 55.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.674 0.274 . . . . 10.0 111.109 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.12 15.97 36.91 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -103.19 122.45 44.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.256 0.55 . . . . 10.0 110.429 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -155.76 144.9 20.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.67 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 29' ' ' LEU . 7.8 p30 -95.05 153.2 17.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.309 0.576 . . . . 10.0 111.478 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -100.05 -44.22 6.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.544 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.01 61.4 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.507 -0.77 . . . . 10.0 111.914 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.84 45.42 8.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.978 -0.63 . . . . 10.0 112.308 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 31.4 p-90 -95.45 -30.53 13.83 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.841 -0.211 . . . . 10.0 111.36 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 22.5 tp -71.99 -38.48 69.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.593 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -63.47 -19.22 64.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.603 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -93.05 -33.53 14.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.19 0.519 . . . . 10.0 109.908 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.0 -38.06 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.725 -0.671 . . . . 10.0 111.049 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.47 -16.33 63.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -94.33 -17.96 22.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.798 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.92 -40.0 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 10.0 112.119 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -109.27 16.71 22.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.646 0.26 . . . . 10.0 111.129 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 68.69 175.26 0.28 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.55 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.56 26.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.674 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.57 110.13 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.039 0.447 . . . . 10.0 110.444 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.94 -42.18 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.127 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.94 73.07 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.619 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.45 84.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.268 . . . . 10.0 111.237 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.83 95.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.417 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 50' ' ' SER . 8.1 tp -71.18 -28.86 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.071 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -20.18 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -56.84 -35.96 69.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.073 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.583 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -111.21 12.77 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -178.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.4 mm-40 69.49 -30.31 0.19 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -70.79 74.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.126 0.489 . . . . 10.0 111.066 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.48 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 3.6 m -104.13 -2.81 25.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.741 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -122.2 -62.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.133 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.558 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.509 -0.637 . . . . 10.0 111.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.8 98.16 23.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 151.04 25.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.446 2.097 . . . . 10.0 112.361 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.76 -5.88 15.46 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.824 2.349 . . . . 10.0 112.195 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -75.27 -22.55 57.72 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.888 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.94 151.79 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.148 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.36 131.27 59.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.482 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 36.6 Cg_endo -64.75 -20.19 64.82 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.179 2.586 . . . . 10.0 113.176 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -93.68 -37.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.35 -42.0 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.71 -17.04 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 10.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 10.6 mm-40 -73.28 -12.5 60.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' B' ' 17' ' ' MET . 14.4 m -55.46 -32.16 62.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 10.0 110.625 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.11 -41.1 67.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.59 70.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -60.52 -44.5 95.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.501 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 13' ' ' SER . 92.9 mmm -64.43 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.341 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.88 -46.02 86.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.44 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 16.2 t -70.4 -19.16 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ttm -81.93 -12.03 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.173 0.511 . . . . 10.0 110.472 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 11.9 40.52 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.64 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.15 124.29 42.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.726 0.298 . . . . 10.0 110.299 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -150.56 148.81 29.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.156 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -110.96 137.74 48.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.046 0.451 . . . . 10.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 -22.89 25.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.695 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 21.95 7.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.493 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.31 42.86 99.89 Favored Glycine 0 C--O 1.23 -0.126 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 45.1 p-90 -96.04 -26.78 15.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 10.0 111.164 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.42 -38.32 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.22 68.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.405 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -83.61 -35.84 24.34 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.827 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.08 -35.91 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.39 -8.26 54.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -94.84 -46.16 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.954 0.407 . . . . 10.0 110.084 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 25' ' ' GLU . 2.3 p -77.91 -40.68 39.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.006 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -101.56 9.76 40.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.612 0.244 . . . . 10.0 111.019 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 69.45 178.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.645 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -92.27 35.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.35 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.87 106.53 17.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -56.61 -46.43 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.852 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.13 53.54 Favored Glycine 0 N--CA 1.454 -0.106 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.675 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.66 95.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.986 0.422 . . . . 10.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.78 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.95 -42.23 94.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.164 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.14 -28.4 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -59.48 -38.12 80.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.492 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 pt -101.19 4.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? 71.34 -51.25 0.69 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.892 0.877 . . . . 10.0 112.171 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.673 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 87.8 m-85 -54.21 100.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.987 0.423 . . . . 10.0 111.453 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -116.1 -35.27 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -94.34 -69.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.306 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.554 -0.736 . . . . 10.0 110.049 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -85.63 112.82 47.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.626 0.213 . . . . 10.0 110.918 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.75 161.54 41.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.714 2.276 . . . . 10.0 112.158 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.43 -4.9 10.29 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.095 2.53 . . . . 10.0 112.801 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.07 -21.43 43.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.581 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.29 133.7 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.418 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.4 125.9 92.14 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.007 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.44 -22.37 74.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 114.04 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -93.36 -40.58 10.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.687 0.28 . . . . 10.0 110.861 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.73 -41.67 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.363 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.74 -23.71 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.052 0.453 . . . . 10.0 111.443 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.08 -12.04 61.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.669 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -56.19 -33.93 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 10.0 110.52 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.71 -44.9 63.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -37.44 87.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.498 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -62.53 -44.31 96.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.6 mmm -63.56 -41.8 98.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.45 -40.03 93.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.268 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -74.39 -17.41 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.047 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 49.9 ttm -84.96 -8.6 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.048 0.452 . . . . 10.0 110.172 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.26 11.59 36.0 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.652 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -97.12 124.5 41.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 m -146.99 143.33 28.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.062 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' HA2' ' A' ' 27' ' ' GLY . 3.9 p30 -101.73 158.23 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.36 0.6 . . . . 10.0 111.646 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -47.0 2.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.023 -0.99 . . . . 10.0 108.997 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.53 5.89 77.43 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.864 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA2' ' OD1' ' A' ' 24' ' ' ASP . . . 77.42 40.78 22.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.536 -0.364 . . . . 10.0 112.975 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p-90 -95.99 -24.05 16.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.767 0.654 . . . . 10.0 112.767 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 22' ' ' PHE . 57.3 tp -62.39 -41.9 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 10.0 110.612 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -69.52 -12.71 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -94.15 -39.09 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.59 -38.48 81.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.692 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.14 -9.39 58.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -96.2 -46.08 6.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.891 0.377 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -76.21 -36.98 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.232 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -110.8 17.48 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.685 0.279 . . . . 10.0 111.749 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 t30 69.03 171.83 0.3 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.675 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.73 33.28 0.47 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.57 105.43 13.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.896 0.379 . . . . 10.0 110.411 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.8 -45.54 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.278 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.56 -41.47 98.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.666 0.27 . . . . 10.0 110.885 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.59 96.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 6.5 mp -64.06 -41.93 97.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.61 -21.35 61.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.541 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -59.6 -37.72 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.448 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' B' ' 47' ' ' ILE . 40.8 pt -111.72 7.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.314 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 50.4 mm-40 71.94 -39.02 0.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.695 0.798 . . . . 10.0 113.004 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -57.15 97.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.224 0.535 . . . . 10.0 111.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -34.45 6.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.852 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -121.53 -64.92 1.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.069 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.13 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.57 -0.612 . . . . 10.0 111.57 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.76 105.31 20.23 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.294 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 86.0 Cg_endo -86.93 148.75 8.24 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.576 2.184 . . . . 10.0 112.385 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 24.0 Cg_exo -65.12 -4.95 9.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.699 2.266 . . . . 10.0 112.128 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.12 -17.6 56.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.201 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.57 136.71 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.262 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.97 131.0 91.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.575 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 22.7 Cg_endo -60.71 -21.84 71.03 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.969 2.446 . . . . 10.0 113.054 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 9' ' ' ARG . 3.9 mtm180 -93.33 -28.07 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.746 0.308 . . . . 10.0 110.412 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.29 -40.09 77.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 10.0 110.528 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.03 -19.63 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 10.0 111.204 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 4.5 mm-40 -71.63 -12.9 61.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.646 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.2 m -56.74 -36.4 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 10.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.76 -46.5 62.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.904 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -38.84 90.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.236 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.68 -46.11 91.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -64.83 -39.76 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -47.11 87.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.44 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -68.82 -21.47 64.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.078 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.9 ttm -79.49 -6.34 56.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.26 12.61 54.29 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.508 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -96.43 122.78 39.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.162 0.506 . . . . 10.0 110.683 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -153.87 131.6 11.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.116 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -87.42 156.3 19.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.094 0.473 . . . . 10.0 111.606 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -28.61 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.18 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.01 12.8 17.16 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.872 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 38.99 57.73 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.928 -0.653 . . . . 10.0 113.218 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -96.64 -19.52 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 tp -70.57 -36.54 73.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -69.04 -14.59 63.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.145 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.45 -35.94 13.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.456 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -37.72 79.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.792 . . . . 10.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.91 -9.19 54.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.346 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -94.05 -39.41 10.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.881 0.372 . . . . 10.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -89.41 -39.22 13.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 10.0 112.091 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 11.23 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.134 -0.226 . . . . 10.0 110.927 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.8 t30 69.73 170.37 0.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.852 0.72 . . . . 10.0 111.231 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -84.9 34.78 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -90.27 110.51 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.064 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.5 -42.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.224 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -49.39 79.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.38 95.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.803 0.335 . . . . 10.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.81 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.395 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.54 -39.62 94.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 10.0 111.227 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.04 -6.44 52.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.733 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.0 m -70.02 -34.38 73.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' A' ' 47' ' ' ILE . 45.4 pt -114.01 15.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 71.07 -37.52 0.4 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.916 0.71 . . . . 10.0 112.916 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 98.6 m-85 -63.6 88.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 10.0 110.791 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -115.07 -51.1 2.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.462 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -74.06 -39.51 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.082 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.606 -0.711 . . . . 10.0 109.944 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.672 -0.571 . . . . 10.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 4.3 m -91.83 109.12 34.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.607 0.203 . . . . 10.0 110.649 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' SER . 6.0 Cg_exo -77.72 163.28 29.21 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.0 2.466 . . . . 10.0 111.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.62 -17.52 60.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.716 2.277 . . . . 10.0 112.0 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.51 -17.17 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.97 127.88 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.254 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 11.2 t70 -63.21 120.81 65.02 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.68 -17.92 61.02 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.912 2.408 . . . . 10.0 113.119 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -93.28 -40.16 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 30.7 tp -68.88 -37.3 78.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.236 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 tt -67.47 -22.17 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.085 0.469 . . . . 10.0 110.999 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.12 -13.11 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.717 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.3 m -60.11 -35.64 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 10.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.78 -48.91 62.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.019 0.437 . . . . 10.0 110.25 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -33.43 76.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -58.95 -46.42 88.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.159 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.13 -42.1 99.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.783 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.415 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -68.48 -26.52 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mmm -78.86 -2.94 42.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.815 0.341 . . . . 10.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.97 57.69 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.089 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.72 124.71 45.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.029 0.442 . . . . 10.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -147.41 160.25 42.78 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.428 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -117.64 147.97 42.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.474 0.654 . . . . 10.0 111.141 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 -44.74 5.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.13 -0.941 . . . . 10.0 109.251 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.09 -4.9 68.4 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.121 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.87 39.7 9.28 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.877 -0.677 . . . . 10.0 112.728 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.1 p-90 -96.29 -15.02 22.18 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.779 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.19 -43.37 74.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.916 0.388 . . . . 10.0 109.969 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -65.73 -25.41 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.499 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -82.64 -33.26 27.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.944 0.402 . . . . 10.0 109.922 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.88 -40.42 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.395 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.24 -13.22 62.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.559 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -94.17 -30.69 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.884 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 -44.51 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HE3' ' HB1' ' A' ' 42' ' ' ALA . 33.2 tttp -99.27 13.37 33.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.95 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 69.98 173.14 0.3 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.72 34.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.017 0.437 . . . . 10.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.94 104.28 15.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.67 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -57.74 -46.04 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.353 -0.84 . . . . 10.0 111.398 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.4 94.02 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.106 -0.569 . . . . 10.0 112.95 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' HE3' ' A' ' 36' ' ' LYS . . . -72.14 -44.2 63.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 10.0 110.995 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.02 93.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.086 0.47 . . . . 10.0 111.945 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.9 -9.7 59.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.338 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.9 m -65.43 -33.98 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 pt -111.03 17.64 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.743 0.645 . . . . 10.0 112.743 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.5 mm-40 68.54 -41.6 0.46 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.553 0.946 . . . . 10.0 113.553 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 75.6 m-85 -64.87 84.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.076 0.465 . . . . 10.0 112.015 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.66 -15.16 13.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.424 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -110.87 -73.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.977 -0.449 . . . . 10.0 111.977 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -101.39 104.45 33.71 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 10.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 95.5 Cg_endo -86.16 157.21 9.78 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.545 2.163 . . . . 10.0 112.526 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 23.1 Cg_exo -65.2 -12.29 34.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.784 2.322 . . . . 10.0 111.922 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -79.94 -15.16 57.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.858 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.72 140.66 31.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.693 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 10.3 t0 -65.75 122.0 78.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.489 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.577 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 37.7 Cg_endo -65.09 -21.62 62.81 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.069 2.513 . . . . 10.0 113.602 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -93.99 -40.89 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.779 0.324 . . . . 10.0 110.584 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 20.1 tp -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.34 -16.49 20.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.057 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 48.2 mm-40 -77.26 -12.54 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.855 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -53.98 -34.0 58.56 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.68 0.276 . . . . 10.0 111.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.0 -45.27 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.743 0.306 . . . . 10.0 110.686 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -37.19 85.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.555 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.82 -44.0 90.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.61 -40.43 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -63.31 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.151 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -22.25 62.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.125 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 42.0 ttm -75.72 -13.01 60.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.255 0.55 . . . . 10.0 110.361 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.6 20.38 15.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.099 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -106.44 125.8 51.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -142.9 137.57 29.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.85 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -119.95 146.9 45.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.017 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.01 16.34 10.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.89 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 4.51 9.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 27.7 72.64 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 111.445 -0.662 . . . . 10.0 111.445 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 30.4 p-90 -96.88 -19.25 18.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 39.5 tp -69.61 -43.13 73.39 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' B' ' 34' ' ' GLN . 7.6 t -63.79 -21.73 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.628 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -93.3 -27.51 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.262 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -63.96 -40.64 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.728 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.68 -9.29 58.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.942 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 30' ' ' THR . 35.1 mm-40 -95.35 -38.95 10.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.954 0.407 . . . . 10.0 110.401 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -78.6 -44.36 24.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.858 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -105.23 15.48 27.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.905 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 64.55 -175.76 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.375 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.76 35.07 0.67 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.077 0.465 . . . . 10.0 110.858 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.01 95.61 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.56 -41.16 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.566 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.19 -47.65 89.77 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.95 93.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.703 0.287 . . . . 10.0 111.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.71 93.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.402 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.24 -38.32 90.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 10.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.9 -29.75 67.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -56.53 -41.83 77.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.174 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 pt -103.64 1.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 13.5 mm-40 70.85 -42.82 0.54 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.575 0.75 . . . . 10.0 112.798 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' TYR . . . . . 0.641 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 60.0 m-85 -61.27 93.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 111.266 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -15.02 4.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.421 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -131.85 11.68 4.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.578 0.228 . . . . 10.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.696 -0.668 . . . . 10.0 109.383 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.653 -0.579 . . . . 10.0 111.653 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -89.81 109.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 87.8 Cg_endo -82.52 159.13 16.89 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.381 2.054 . . . . 10.0 112.226 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 27.5 Cg_exo -63.29 -12.98 33.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.781 2.321 . . . . 10.0 111.75 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.62 -22.04 54.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.706 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.73 137.47 38.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.41 126.5 86.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 36.0 Cg_endo -64.33 -19.03 65.2 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.863 2.375 . . . . 10.0 112.87 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -92.27 -28.12 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.776 0.322 . . . . 10.0 111.259 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.4 -28.16 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 10.0 110.68 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -77.89 -23.34 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.299 0.571 . . . . 10.0 110.476 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 35.4 mm-40 -78.76 -13.31 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.652 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -60.4 -30.23 69.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.156 0.503 . . . . 10.0 109.865 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.57 -48.01 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.671 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -32.28 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.5 -44.2 89.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.526 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mmm -65.33 -39.78 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.124 0.488 . . . . 10.0 109.959 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.91 -43.58 95.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.357 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t -67.66 -31.71 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.192 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -67.64 -29.81 69.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.331 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.52 19.81 6.44 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -110.6 123.37 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.457 . . . . 10.0 110.304 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -152.65 153.66 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.379 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.16 156.97 17.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.016 0.436 . . . . 10.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -110.41 -28.26 8.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.728 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 6.96 48.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.24 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 37.68 56.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.315 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 67.5 p-90 -96.58 -34.73 11.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.45 -39.37 85.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 10.0 110.067 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -63.1 -14.42 48.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.103 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -94.51 -40.54 9.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.66 -32.18 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.31 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -11.34 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.255 0.55 . . . . 10.0 110.925 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.42 -40.28 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.17 0.509 . . . . 10.0 110.334 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 -33.98 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.186 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -111.6 18.82 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.73 -177.29 0.21 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.649 0.593 . . . . 10.0 111.773 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -92.76 25.21 3.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.835 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.18 101.57 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -54.43 -40.35 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.461 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.11 54.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.958 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.95 98.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.693 0.283 . . . . 10.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.03 83.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.71 -32.85 74.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.55 -35.28 73.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.27 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -58.86 -31.3 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.613 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' B' ' 47' ' ' ILE . 1.6 pp -101.31 0.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.669 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 68.92 -53.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.812 1.041 . . . . 10.0 113.812 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.655 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 74.2 m-85 -55.65 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.243 0.544 . . . . 10.0 112.142 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.1 -45.91 3.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.14 -57.19 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.356 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.714 -0.66 . . . . 10.0 110.554 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.837 -0.505 . . . . 10.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -102.1 102.09 22.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.7 0.286 . . . . 10.0 110.358 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 89.0 Cg_endo -78.91 151.09 24.06 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.391 2.061 . . . . 10.0 112.385 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -64.61 -10.2 23.62 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.928 2.419 . . . . 10.0 112.161 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -76.27 -25.33 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.117 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.14 33.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.577 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.13 128.38 85.16 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.78 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 25.5 Cg_endo -60.51 -22.35 71.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.158 2.572 . . . . 10.0 113.348 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -93.2 -27.65 16.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.857 0.36 . . . . 10.0 110.244 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 tp -69.96 -37.34 75.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.37 -20.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.184 0.516 . . . . 10.0 110.17 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 23.3 mm-40 -77.06 -13.96 59.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.213 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -63.22 -29.97 71.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.277 0.561 . . . . 10.0 109.82 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.42 -42.99 52.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.95 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -28.87 68.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.643 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -61.07 -37.2 81.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.561 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.3 mmm -67.57 -46.09 73.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.02 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.237 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -27.74 68.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 46.3 ttm -82.27 -14.7 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.05 10.83 41.46 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.033 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.93 122.8 44.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.41 0.624 . . . . 10.0 110.97 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -154.87 156.79 36.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -99.58 169.38 9.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 10.0 111.523 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -48.8 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.176 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.47 7.7 68.75 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.594 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.08 44.98 16.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.487 -0.387 . . . . 10.0 113.05 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 39.6 p-90 -95.67 -27.34 15.34 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.815 0.308 . . . . 10.0 111.541 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.77 -39.31 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.007 0.432 . . . . 10.0 110.315 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -61.41 -27.77 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.287 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -83.37 -38.15 22.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.371 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.17 -44.44 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.704 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -16.0 63.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -93.76 -20.63 19.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.717 0.294 . . . . 10.0 110.424 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 25' ' ' GLU . 1.2 m -100.07 -31.59 11.35 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.862 0.363 . . . . 10.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -106.24 12.85 29.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 70.84 175.03 0.3 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.634 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -86.72 27.78 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.126 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.98 115.72 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.458 . . . . 10.0 110.679 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -65.51 -36.56 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.32 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.24 -54.61 36.44 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.149 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.69 87.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.995 0.426 . . . . 10.0 110.602 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.96 -51.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.153 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.15 -40.75 96.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.247 0.546 . . . . 10.0 111.689 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -67.9 -17.45 64.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.21 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.3 m -63.95 -37.19 86.5 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.923 1.082 . . . . 10.0 113.923 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 47' ' ' ILE . 41.6 pt -125.27 26.41 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -176.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.655 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 mm100 71.33 -53.88 0.68 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.245 0.618 . . . . 10.0 112.511 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -47.67 110.57 0.33 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.35 0.595 . . . . 10.0 112.05 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -144.15 -69.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.354 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -77.48 -40.14 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.157 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 179.47 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 112.107 -0.397 . . . . 10.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.28 96.43 35.23 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.31 151.5 26.38 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.412 2.075 . . . . 10.0 112.63 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.87 -6.09 18.38 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.379 2.053 . . . . 10.0 111.177 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -84.71 -0.77 54.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.88 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.29 137.04 46.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.357 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.86 128.96 87.32 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.038 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.47 -25.27 75.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.175 2.584 . . . . 10.0 112.698 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 60.8 mtm180 -86.58 -28.36 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 10.0 110.271 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 tp -68.81 -35.84 77.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.726 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -78.34 -14.53 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.484 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 4.0 mm-40 -69.1 -18.68 64.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.026 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -59.98 -29.12 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.1 -43.85 18.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.162 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -36.05 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.673 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.03 -41.73 97.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.12 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 mmt -64.99 -45.41 85.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.035 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.67 -43.05 98.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -74.53 -20.47 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.291 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.57 -10.62 59.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.38 11.42 59.64 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.78 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -102.68 121.66 42.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.842 0.83 . . . . 10.0 110.584 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -157.28 140.02 15.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.566 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -107.98 165.99 11.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' HB ' ' B' ' 35' ' ' THR . 0.0 OUTLIER -116.76 4.19 13.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.558 0.947 . . . . 10.0 113.558 -177.394 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -117.94 -5.73 13.29 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 119.747 -1.216 . . . . 10.0 112.394 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 83.82 28.61 34.41 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 56.9 p-90 -96.93 -29.61 13.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 48.2 tp -72.96 -37.31 67.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -66.56 -20.26 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.428 0.632 . . . . 10.0 110.112 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -91.16 -31.1 16.33 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.897 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.112 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.69 -11.14 60.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.267 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -94.88 -34.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.71 12.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -91.21 5.94 47.11 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.391 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 69.85 173.61 0.3 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -82.6 46.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.283 0.564 . . . . 10.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.5 102.03 13.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.387 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.32 -41.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.532 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.34 -50.7 60.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.902 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.23 99.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.913 -0.169 . . . . 10.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.49 79.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.708 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.92 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 10.0 111.471 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -76.92 -8.0 56.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.563 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.5 m -81.79 -24.97 35.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.841 0.312 . . . . 10.0 111.841 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 pt -115.34 18.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.723 -0.391 . . . . 10.0 111.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 71.3 -50.17 0.69 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.302 0.641 . . . . 10.0 112.352 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 84.2 m-85 -62.23 100.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.937 0.399 . . . . 10.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -112.22 -40.64 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.103 0.478 . . . . 10.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -102.15 -70.47 0.75 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.368 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.815 -0.612 . . . . 10.0 109.657 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.806 -0.518 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -93.89 108.13 32.75 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.63 0.252 . . . . 10.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 75.2 Cg_endo -90.39 142.44 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.916 2.41 . . . . 10.0 112.597 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 15.7 Cg_exo -70.3 -4.2 13.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.483 2.122 . . . . 10.0 111.949 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.93 -27.29 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.12 143.69 27.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.72 131.62 89.45 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.563 -0.289 . . . . 10.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.68 -22.8 74.25 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 10.0 112.74 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.99 -15.93 35.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.37 . . . . 10.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.94 -32.27 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 10.0 109.886 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.0 tt -89.67 -8.92 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.72 -23.47 65.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.32 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -31.78 71.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.032 0.444 . . . . 10.0 110.314 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.29 -47.11 52.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.975 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.565 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -60.83 -46.42 90.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.019 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mmm -61.83 -36.64 81.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 10.0 109.887 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.49 -43.25 90.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.118 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -68.02 -22.86 64.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.819 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mmm -81.6 -4.96 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.44 . . . . 10.0 110.3 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.27 28.71 43.47 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.216 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.69 122.85 46.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -141.58 158.45 43.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.78 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' B' ' 28' ' ' TRP . 20.5 p-10 -120.44 116.88 26.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.267 0.556 . . . . 10.0 111.268 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.31 -43.11 58.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.9 8.56 79.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 46.79 79.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.222 -0.513 . . . . 10.0 112.522 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 53.7 p-90 -96.45 -24.82 15.93 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.647 -0.325 . . . . 10.0 111.513 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.4 -39.3 32.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.836 0.35 . . . . 10.0 110.738 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.485 HG23 ' HG2' ' B' ' 31' ' ' ARG . 9.7 t -59.14 -26.44 64.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.326 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' B' ' 30' ' ' THR . 0.5 OUTLIER -88.46 -30.8 19.14 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.33 0.586 . . . . 10.0 109.882 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.54 -42.23 98.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.253 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -70.37 -15.74 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.429 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 30' ' ' THR . 81.9 mm-40 -92.87 -19.51 21.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.92 0.391 . . . . 10.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.452 ' HB ' ' OE2' ' A' ' 25' ' ' GLU . 1.3 p -98.41 -38.26 9.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.677 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -105.72 12.41 31.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.173 -0.211 . . . . 10.0 110.993 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.77 176.02 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.874 0.734 . . . . 10.0 111.376 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -85.64 45.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.253 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -100.24 109.43 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.841 0.353 . . . . 10.0 110.197 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -64.8 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.475 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.72 55.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.4 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.24 91.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.605 0.241 . . . . 10.0 111.19 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 -51.64 66.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.99 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.89 -45.06 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.478 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.43 -36.43 78.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 112.017 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.2 m -60.6 -33.83 73.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.004 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 pt -105.1 5.51 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 7.5 mm-40 71.8 -41.34 0.5 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.459 0.704 . . . . 10.0 112.643 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -64.32 83.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.121 0.486 . . . . 10.0 111.286 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -111.44 -24.17 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.497 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -121.11 -63.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.24 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.582 -0.723 . . . . 10.0 109.647 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.155 -0.378 . . . . 10.0 112.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -110.77 104.85 56.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 110.557 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.28 162.13 25.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.629 2.219 . . . . 10.0 111.906 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 -6.46 16.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.76 2.307 . . . . 10.0 111.897 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.86 -8.57 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.039 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.58 131.19 37.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.266 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.74 127.92 93.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.516 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.19 -25.12 76.77 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.014 2.476 . . . . 10.0 113.108 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -86.1 -28.71 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.414 . . . . 10.0 110.213 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 tt -73.05 -26.93 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.57 -13.69 62.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.393 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 m -71.0 -24.95 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.159 0.504 . . . . 10.0 109.857 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.39 -46.81 15.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.129 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.74 74.4 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.042 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -63.27 -37.41 87.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.637 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.9 mmm -66.13 -41.8 89.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.591 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.2 -40.18 95.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.102 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -72.47 -21.4 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.907 0.384 . . . . 10.0 111.293 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 mmm -75.97 -19.95 58.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.47 18.84 8.74 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.271 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.21 123.06 42.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -135.04 154.5 51.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.531 ' OD2' ' HA2' ' A' ' 27' ' ' GLY . 5.0 p-10 -121.39 143.53 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.961 0.41 . . . . 10.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -49.55 4.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.134 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 -7.48 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' HA2' ' OD2' ' A' ' 24' ' ' ASP . . . 94.81 29.19 9.38 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.296 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -72.6 -21.31 61.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.36 -0.494 . . . . 10.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.6 tp -62.82 -52.74 61.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -63.71 -29.43 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.563 0.221 . . . . 10.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -72.4 -42.03 65.64 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -33.4 75.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 96.2 mt -71.43 -15.22 62.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -95.41 -20.1 19.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 p -98.56 -42.74 7.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.042 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -104.08 12.99 33.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.478 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.2 t30 66.62 -178.05 0.2 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.091 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -88.29 25.4 1.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 10.0 110.177 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.78 97.01 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.271 0.557 . . . . 10.0 110.647 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.7 -40.21 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.984 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.04 -25.07 69.16 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.181 -0.533 . . . . 10.0 112.804 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.79 -43.06 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.628 -0.336 . . . . 10.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.15 93.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.59 -34.26 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.113 0.482 . . . . 10.0 110.747 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.27 -25.81 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.052 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.7 -31.53 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.781 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -108.54 9.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.704 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -47.06 0.66 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -53.78 100.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.099 0.476 . . . . 10.0 112.213 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -111.59 -31.77 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -117.36 -57.69 2.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.481 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 t60 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.471 -0.776 . . . . 10.0 109.769 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.839 -0.504 . . . . 10.0 111.839 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -106.95 101.18 36.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 16.0 Cg_exo -68.24 143.79 60.13 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.556 2.17 . . . . 10.0 111.9 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -63.02 -4.39 6.09 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.013 2.475 . . . . 10.0 112.844 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -87.53 -8.35 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.924 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.19 139.04 30.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.473 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.87 124.94 89.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.22 -19.55 68.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.976 2.45 . . . . 10.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -91.5 -24.53 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.993 0.425 . . . . 10.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.73 -38.05 67.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.135 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.16 -24.39 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 10.0 110.088 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -74.38 -13.63 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.76 -27.63 69.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.271 0.558 . . . . 10.0 109.935 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 -42.69 18.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.219 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -39.66 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.722 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.08 -36.52 72.95 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.566 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.16 -43.33 99.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.807 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.28 -39.25 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.472 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -67.91 -23.46 65.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.107 0.479 . . . . 10.0 110.785 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 77.4 mmm -84.86 -7.74 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.246 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.43 1.68 64.14 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.127 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.4 123.41 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.217 0.532 . . . . 10.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 142.18 24.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -105.24 153.53 21.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.473 0.654 . . . . 10.0 111.553 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -43.97 5.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.2 79.19 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.222 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 38.64 29.2 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 121.303 -0.475 . . . . 10.0 113.083 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -96.55 -15.71 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 10.0 112.789 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.2 tp -70.48 -43.41 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.034 0.445 . . . . 10.0 110.042 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -67.03 -13.11 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.457 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -93.73 -44.18 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.115 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.52 -35.44 75.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.18 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.81 -12.69 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.699 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.29 -43.2 8.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.733 0.302 . . . . 10.0 110.651 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -44.84 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 10.0 112.15 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -95.32 8.36 43.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.656 0.265 . . . . 10.0 111.135 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 69.99 171.39 0.31 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -81.12 38.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.223 0.535 . . . . 10.0 110.742 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -84.36 90.67 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.923 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.6 mt -53.39 -47.9 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.837 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.67 -37.69 93.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.578 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' B' ' 39' ' ' ASP . . . -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.944 0.402 . . . . 10.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.69 94.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -33.14 75.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 10.0 110.814 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.0 -20.85 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.202 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.3 m -62.22 -32.15 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.346 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' H ' ' B' ' 49' ' ' TYR . 38.8 pt -114.58 2.18 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.958 -0.297 . . . . 10.0 111.407 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 68.77 -14.17 0.29 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.406 ' H ' HG13 ' B' ' 47' ' ' ILE . 61.1 m-85 -77.94 69.97 4.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.191 0.52 . . . . 10.0 110.953 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 -18.48 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.547 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -94.81 -50.2 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.054 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 -179.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.587 -0.605 . . . . 10.0 111.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -74.72 124.19 89.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.79 0.295 . . . . 10.0 110.637 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.33 166.52 22.35 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.636 2.224 . . . . 10.0 111.58 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.19 -17.94 22.01 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.732 2.288 . . . . 10.0 112.577 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -70.98 -19.19 62.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.67 132.79 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.6 126.65 92.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.81 -20.32 70.89 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.022 2.481 . . . . 10.0 112.952 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -88.56 -41.43 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.817 0.341 . . . . 10.0 110.692 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.45 -37.61 87.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.201 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -75.41 -22.74 16.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 10.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.05 -13.48 60.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.489 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.16 -29.21 69.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 10.0 109.871 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.07 -47.22 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.73 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -37.81 87.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.616 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -58.88 -40.7 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.981 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mmm -66.01 -40.62 91.26 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.033 0.445 . . . . 10.0 110.158 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.91 -41.37 91.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.415 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -68.81 -14.47 63.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.168 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.9 ttm -90.24 -3.14 58.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.277 0.561 . . . . 10.0 110.02 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.97 57.15 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.994 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -109.34 123.62 49.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.024 0.44 . . . . 10.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 169.39 18.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -120.71 156.28 32.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.144 0.497 . . . . 10.0 111.019 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -49.54 3.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.58 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.88 3.13 84.72 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.914 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.06 47.09 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.558 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 28.8 p-90 -96.49 -25.07 15.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.84 -39.89 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 10.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -64.78 -22.42 66.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.123 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -94.65 -31.76 13.69 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.58 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.94 -40.48 89.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.66 -7.61 51.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.75 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -88.67 -34.17 17.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.699 0.285 . . . . 10.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -98.87 -9.86 23.68 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -126.42 8.92 7.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.633 0.254 . . . . 10.0 110.68 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 69.0 168.11 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.854 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.94 36.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.916 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.18 106.5 14.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.94 0.4 . . . . 10.0 110.186 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.33 -39.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.539 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.72 -55.6 26.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.189 -0.529 . . . . 10.0 112.534 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.53 79.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.345 0.117 . . . . 10.0 110.992 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.24 74.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.67 -33.28 74.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.971 0.415 . . . . 10.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.2 -31.54 67.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.762 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -61.22 -33.03 72.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.663 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 pt -106.71 6.51 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.761 -0.376 . . . . 10.0 111.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 3.8 mm-40 69.5 -38.58 0.41 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.38 79.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 10.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -100.24 -19.4 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -114.1 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.858 0.361 . . . . 10.0 110.458 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.511 -0.635 . . . . 10.0 111.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -107.32 98.36 22.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.794 0.33 . . . . 10.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -81.0 169.92 15.76 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.799 2.332 . . . . 10.0 112.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.16 -12.02 21.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.868 2.379 . . . . 10.0 112.176 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -70.27 -25.08 63.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.367 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.737 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.04 129.09 89.85 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.93 -25.2 74.16 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.706 2.271 . . . . 10.0 112.74 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -87.07 -24.49 24.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 10.0 110.248 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.12 -42.34 60.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.076 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -71.36 -24.21 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.432 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.64 -15.33 63.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -68.13 -28.07 66.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.21 0.529 . . . . 10.0 109.991 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.59 -48.22 23.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.282 0.563 . . . . 10.0 109.508 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -29.05 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.5 -44.91 93.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.264 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.0 mmm -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.928 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.01 -39.09 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.706 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -68.85 -23.99 64.3 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 111.355 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 80.4 mmm -83.49 -10.14 58.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.99 25.45 11.33 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.976 -0.63 . . . . 10.0 112.186 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.99 123.56 48.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 10.0 110.752 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.01 145.09 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.87 178.18 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.8 -0.36 . . . . 10.0 111.447 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -104.77 -60.78 1.55 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.55 -15.32 61.53 Favored Glycine 0 N--CA 1.463 0.444 0 N-CA-C 114.828 0.691 . . . . 10.0 114.828 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 38.52 4.77 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.281 -0.728 . . . . 10.0 111.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 42.5 p-90 -95.2 -23.66 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.001 -0.28 . . . . 10.0 111.696 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.8 -44.65 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -70.55 -16.27 62.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.303 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -90.65 -41.0 11.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.202 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.53 -35.07 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.2 -8.51 55.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.615 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -94.42 -39.16 10.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 10.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -86.03 -31.21 22.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.182 -0.463 . . . . 10.0 112.128 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -111.25 11.63 21.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.481 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.0 t30 70.32 168.74 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.76 0.662 . . . . 10.0 111.571 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.31 35.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.863 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -82.96 108.83 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.423 ' H ' HG13 ' B' ' 40' ' ' ILE . 14.0 mt -61.65 -34.41 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.62 62.22 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.907 -0.664 . . . . 10.0 111.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.09 77.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.622 0.248 . . . . 10.0 111.045 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.42 58.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.81 -33.88 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.029 0.442 . . . . 10.0 111.192 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.58 -38.1 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.253 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -54.18 -39.9 67.06 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.14 9.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.36 -40.27 0.47 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.697 . . . . 10.0 112.754 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 87.4 m-85 -60.28 99.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 10.0 111.042 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -119.93 -42.75 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -78.59 -69.84 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.727 -0.654 . . . . 10.0 109.618 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.004 -0.438 . . . . 10.0 112.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -93.49 112.29 55.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.736 0.303 . . . . 10.0 110.194 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 74.2 Cg_endo -78.31 148.27 23.75 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.629 2.219 . . . . 10.0 112.562 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 16.8 Cg_exo -68.03 -10.44 28.88 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.686 2.258 . . . . 10.0 111.885 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -85.05 -5.08 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.488 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 141.44 28.63 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.178 -0.465 . . . . 10.0 109.814 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.41 118.72 66.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 121.098 -0.241 . . . . 10.0 110.763 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.21 -22.69 58.24 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.139 2.559 . . . . 10.0 112.984 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -87.66 -39.98 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 10.0 110.658 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.47 -41.81 92.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.1 tt -68.99 -18.99 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 10.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.35 -13.63 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.365 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.7 m -61.57 -31.84 71.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 10.0 110.233 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.21 -44.34 53.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.989 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -36.87 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -60.36 -36.64 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.325 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' SER . 87.0 mmm -64.58 -36.13 83.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 10.0 110.136 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.67 -43.97 91.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.44 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -26.63 66.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 10.0 110.58 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 ttm -75.64 -18.34 59.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.613 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.72 11.44 40.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.394 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.42 123.34 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 10.0 110.013 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.55 137.61 26.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.214 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CG ' ' HB3' ' A' ' 29' ' ' LEU . 19.5 p-10 -114.85 121.71 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.213 0.53 . . . . 10.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -42.95 16.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.759 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.07 2.37 81.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.496 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.23 39.19 71.89 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.129 -0.558 . . . . 10.0 112.046 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 54.3 p-90 -91.22 -34.01 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.898 0.332 . . . . 10.0 111.898 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 24' ' ' ASP . 19.5 tp -71.78 -36.07 70.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.766 0.317 . . . . 10.0 110.264 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -21.56 64.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.245 0.545 . . . . 10.0 110.478 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -93.99 -35.08 12.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.759 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.06 -37.88 86.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.65 -12.13 59.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -95.57 -36.28 11.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.346 . . . . 10.0 110.996 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -84.29 -43.25 15.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.762 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 11.07 36.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.688 0.28 . . . . 10.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 67.26 177.53 0.24 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.042 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -87.16 36.86 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.854 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.55 102.26 15.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.88 -35.94 63.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.368 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.34 75.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.283 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.43 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.734 0.302 . . . . 10.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.76 75.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.818 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.0 -40.56 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.94 -31.28 72.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -34.8 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' B' ' 47' ' ' ILE . 33.0 pt -109.48 5.12 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.576 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.43 -44.41 0.54 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.847 0.859 . . . . 10.0 112.976 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -50.65 112.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 10.0 112.08 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -30.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.715 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -107.19 -55.09 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.699 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.737 -0.649 . . . . 10.0 109.797 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.49 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.628 -0.589 . . . . 10.0 111.628 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -94.45 104.03 12.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 4.4 Cg_exo -76.6 139.15 20.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.63 2.22 . . . . 10.0 111.973 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 25.9 Cg_exo -64.08 -11.16 26.12 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.618 2.212 . . . . 10.0 112.623 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.53 -16.08 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.153 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.04 159.81 23.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.398 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 11.8 t0 -74.87 117.62 64.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.018 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.52 -15.12 46.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.72 2.28 . . . . 10.0 113.359 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -93.71 -38.12 11.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 10.0 110.335 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 42.9 tp -65.91 -35.37 80.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 tt -69.33 -16.83 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.53 -12.8 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.356 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 6.5 m -60.24 -33.51 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 10.0 110.278 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.23 -42.9 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.729 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -38.23 89.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.446 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.66 -39.75 89.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 88.7 mmm -66.31 -37.6 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.124 0.488 . . . . 10.0 110.044 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.626 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -69.26 -13.33 62.33 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.3 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.7 ttm -82.87 -9.34 59.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 10.0 109.635 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.3 23.36 27.07 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.301 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -122.27 122.12 38.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.431 0.634 . . . . 10.0 110.256 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -146.56 140.74 26.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.882 -1.053 . . . . 10.0 108.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.47 140.82 29.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.347 0.594 . . . . 10.0 111.307 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.95 -38.34 9.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.641 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.74 10.43 72.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.923 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.98 37.84 93.58 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 121.298 -0.477 . . . . 10.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 62.0 p-90 -96.3 -26.0 15.55 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 tp -73.75 -37.36 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 10.0 110.132 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -65.18 -20.17 66.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.103 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -89.51 -28.44 19.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.635 0.731 . . . . 10.0 109.059 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.95 -42.69 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.62 -13.04 62.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.505 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -93.31 -26.1 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.891 0.377 . . . . 10.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -99.43 -25.8 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 10.0 112.129 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.05 14.85 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 10.0 111.104 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.65 166.91 0.24 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.537 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -81.25 54.94 2.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 106.89 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.44 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.7 mt -57.09 -49.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.35 -46.06 93.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.573 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.641 0.258 . . . . 10.0 110.962 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.01 90.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.092 0.472 . . . . 10.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.55 -34.59 78.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.859 0.362 . . . . 10.0 111.845 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.8 m -65.74 -35.59 81.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.272 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' A' ' 47' ' ' ILE . 34.9 pt -103.07 -10.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 65.57 -7.22 0.35 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -78.86 87.28 4.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.953 0.406 . . . . 10.0 110.216 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 -20.22 5.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mppt? -118.99 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.751 -0.642 . . . . 10.0 109.574 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -98.75 109.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.969 0.385 . . . . 10.0 110.498 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 57.7 Cg_endo -72.31 147.49 47.46 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.414 2.076 . . . . 10.0 112.247 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -63.77 -15.1 46.89 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.832 2.355 . . . . 10.0 112.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.39 -2.69 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.011 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.62 122.94 31.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.63 125.2 84.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 29.1 Cg_endo -62.17 -19.0 65.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.072 2.515 . . . . 10.0 113.52 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 58.6 mtm180 -93.86 -32.55 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.045 0.45 . . . . 10.0 110.128 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.05 -34.33 77.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.151 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.13 -14.65 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.28 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 13.3 mm-40 -71.33 -17.24 62.45 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.993 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.4 m -58.17 -32.86 68.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.051 0.453 . . . . 10.0 110.663 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.63 -44.98 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.943 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -37.58 86.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.796 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -57.24 -46.2 83.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.026 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 13' ' ' SER . 91.1 mmm -64.06 -43.08 96.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 10.0 110.243 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.07 -50.31 72.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.765 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -64.3 -25.56 68.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.358 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 48.7 ttm -77.07 -16.82 59.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.374 0.607 . . . . 10.0 110.143 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.03 13.74 33.02 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.362 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.175 0.512 . . . . 10.0 109.666 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -160.94 126.19 3.73 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.263 -0.88 . . . . 10.0 108.933 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -104.36 173.61 6.23 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.802 -0.359 . . . . 10.0 110.646 -179.202 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.6 6.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.36 -16.63 80.25 Favored Glycine 0 C--O 1.234 0.109 0 C-N-CA 120.679 -0.772 . . . . 10.0 113.319 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 92.88 31.28 8.73 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 111.379 -0.689 . . . . 10.0 111.379 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.8 p-90 -91.89 -31.91 15.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.062 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.45 -35.45 70.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 10.0 109.89 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -68.43 -17.94 64.32 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.436 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -94.11 -36.68 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 3.8 tp -58.14 -39.73 79.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.912 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.98 -10.09 50.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.835 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.44 -54.94 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.993 0.425 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -34.23 56.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.387 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 3.6 mptp? -95.95 4.72 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.207 -0.197 . . . . 10.0 111.018 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 73.49 163.53 0.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.952 0.782 . . . . 10.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.72 36.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.42 101.36 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 10.0 109.851 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.42 -42.47 80.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -48.43 84.21 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.128 -0.558 . . . . 10.0 112.227 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 10.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.88 91.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 10.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 4.4 mp -59.84 -41.14 90.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.599 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.45 -21.26 58.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.345 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.4 m -63.46 -34.25 77.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.278 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' B' ' 47' ' ' ILE . 24.0 pt -110.72 17.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 34.2 mm-40 70.5 -51.2 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.18 105.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 10.0 111.163 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 m -130.36 -27.62 2.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.735 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -100.99 -49.91 3.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.73 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.907 -0.568 . . . . 10.0 109.595 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.679 -0.568 . . . . 10.0 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.66 111.12 18.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.766 0.317 . . . . 10.0 110.703 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 88.3 Cg_endo -89.13 163.08 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.752 2.301 . . . . 10.0 112.103 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.27 -2.2 6.69 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.914 2.409 . . . . 10.0 112.392 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -81.07 -14.35 57.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.966 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.78 146.38 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.342 . . . . 10.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -77.4 129.9 76.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.489 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.82 -22.52 74.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.24 2.626 . . . . 10.0 113.548 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -89.86 -35.33 15.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 10.0 110.181 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.04 -39.34 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 tt -77.02 -7.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.152 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.41 -16.47 45.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.777 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -61.55 -27.93 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.907 0.384 . . . . 10.0 110.686 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.02 -49.4 24.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.382 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -33.8 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -60.44 -45.84 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.726 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.3 mmm -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.43 -45.91 85.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.439 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -26.65 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 33.0 ttm -71.48 -21.53 61.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.75 10.6 26.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.88 123.15 47.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 10.0 110.178 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -149.76 141.73 23.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.739 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -102.88 148.8 25.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.465 0.65 . . . . 10.0 111.411 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 -40.81 4.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.889 -1.05 . . . . 10.0 109.782 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.6 -4.34 89.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.369 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' B' ' 31' ' ' ARG . . . 79.44 36.95 25.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.504 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 51.8 p-90 -95.75 -25.05 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.672 0.272 . . . . 10.0 111.587 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -84.21 -37.59 21.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.054 0.454 . . . . 10.0 110.196 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -65.73 -26.84 67.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.424 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 27' ' ' GLY . 5.4 mtm180 -90.09 -16.89 28.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.316 0.579 . . . . 10.0 109.618 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.21 -40.16 74.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.993 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.89 -13.55 62.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.757 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -90.76 -24.24 20.42 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.7 p -100.77 -40.98 7.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -101.11 19.61 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.571 0.224 . . . . 10.0 111.097 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.64 179.74 0.23 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.463 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -96.16 30.34 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.67 111.06 20.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 110.755 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.44 -43.15 93.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.488 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.19 -55.76 27.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.218 -0.515 . . . . 10.0 112.701 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.38 90.98 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.064 0.459 . . . . 10.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.51 -24.22 60.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.279 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -60.49 -33.27 72.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 10.0 112.01 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 47' ' ' ILE . 21.9 pt -104.61 1.09 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.94 19.48 10.74 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.48 24.7 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.388 0.613 . . . . 10.0 109.629 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -27.28 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.477 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -82.1 -49.39 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.131 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.195 -0.907 . . . . 10.0 110.625 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.966 -0.454 . . . . 10.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.34 109.93 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.619 0.209 . . . . 10.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 1' ' ' GLY . 93.9 Cg_endo -88.65 157.14 6.31 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.843 2.362 . . . . 10.0 112.415 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.47 -15.53 41.71 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.946 2.431 . . . . 10.0 112.236 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -74.04 -18.61 60.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.05 143.34 34.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.9 122.19 86.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.628 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.02 -20.65 72.05 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.814 2.343 . . . . 10.0 112.846 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -89.65 -31.73 17.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.391 . . . . 10.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -67.76 -39.43 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -71.55 -21.27 21.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.003 0.43 . . . . 10.0 110.423 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.72 -13.74 61.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.37 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -66.46 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.047 0.451 . . . . 10.0 110.596 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.71 -44.34 56.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.57 69.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.325 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -59.2 -48.21 82.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.449 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.56 -42.43 95.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.199 0.523 . . . . 10.0 110.05 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.94 -40.46 93.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.845 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -74.46 -26.97 60.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.0 ttm -75.56 -14.01 60.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.468 0.652 . . . . 10.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.49 4.87 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.974 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -137.12 123.23 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -147.79 170.86 16.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.095 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -114.92 159.36 20.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.335 0.588 . . . . 10.0 110.545 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -46.93 3.44 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.642 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.86 2.91 82.66 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.879 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 42.86 25.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.598 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 69.4 p-90 -95.86 -28.41 14.73 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.639 -0.33 . . . . 10.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -72.8 -36.64 67.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.021 0.439 . . . . 10.0 110.11 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.373 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -90.4 -30.35 17.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.83 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.79 -43.66 98.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.55 -7.45 20.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.77 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -92.86 -40.74 10.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.288 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.0 p -98.39 -4.6 34.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 10.0 111.96 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.91 6.06 9.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 69.53 169.32 0.3 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -85.89 41.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.016 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.23 112.33 24.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.185 0.517 . . . . 10.0 110.72 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.63 -49.2 85.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.623 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.43 -47.65 81.69 Favored Glycine 0 C--N 1.329 0.19 0 CA-C-N 116.006 -0.543 . . . . 10.0 112.954 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.68 92.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.7 0.286 . . . . 10.0 111.518 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.04 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.803 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.75 -36.13 82.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.416 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.14 -24.46 54.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.176 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 m -66.23 -31.42 72.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.527 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 42.9 pt -104.37 4.29 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.636 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.562 ' HG2' ' CE2' ' B' ' 49' ' ' TYR . 16.1 mm-40 71.95 -43.37 0.56 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.266 0.626 . . . . 10.0 112.454 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -69.09 90.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 10.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -116.58 -14.88 10.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.384 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -101.68 -50.75 3.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 10.0 110.488 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.619 -0.705 . . . . 10.0 109.771 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.91 106.43 40.9 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.799 0.333 . . . . 10.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.5 156.51 21.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.572 2.181 . . . . 10.0 111.503 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.42 -0.17 5.49 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.797 2.332 . . . . 10.0 112.767 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -80.05 -20.18 45.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.175 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 141.02 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.187 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.21 122.21 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.476 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.428 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 29.8 Cg_endo -63.66 -17.27 59.24 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.92 2.413 . . . . 10.0 113.892 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 66.9 mtm180 -92.8 -30.76 15.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.779 0.323 . . . . 10.0 110.313 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.67 -38.31 86.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.049 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 tt -72.31 -16.91 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.615 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 9' ' ' ARG . 60.0 mm-40 -73.07 -25.22 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -61.97 -33.02 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.811 0.339 . . . . 10.0 111.222 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.27 -42.78 62.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -28.05 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.957 0.408 . . . . 10.0 110.376 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -63.82 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.5 mmm -62.36 -42.24 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.45 -40.55 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.438 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -32.59 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.16 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 34.9 ttm -69.11 -29.09 67.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.373 0.606 . . . . 10.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.79 25.96 4.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.408 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.89 121.71 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -172.92 126.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.9 178.79 4.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.683 0.278 . . . . 10.0 111.11 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -44.67 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.727 -178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.51 63.99 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.333 -0.46 . . . . 10.0 113.043 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' B' ' 31' ' ' ARG . . . 98.36 21.69 16.63 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 8.2 p-90 -74.83 -30.75 61.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.555 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.57 -40.73 73.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 10.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 27' ' ' GLY . 1.3 t -69.61 -18.99 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 10.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 27' ' ' GLY . 28.2 mmm180 -88.0 -37.93 15.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.09 -36.49 81.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.97 -8.58 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.677 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -95.24 -47.7 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.986 -0.285 . . . . 10.0 111.118 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -79.81 -31.25 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 10.0 111.808 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -100.37 6.19 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.851 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.28 -177.92 0.22 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.518 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.62 34.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.304 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.79 103.51 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.188 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.33 -45.88 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.62 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -44.57 96.37 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.163 -0.541 . . . . 10.0 112.93 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.85 72.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 10.0 111.551 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.97 78.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.69 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.59 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -83.01 -7.24 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.641 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -65.63 -38.42 89.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.753 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 pt -115.77 17.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.798 -0.361 . . . . 10.0 111.933 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 73.49 -42.16 0.51 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.171 0.588 . . . . 10.0 112.025 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 93.5 m-85 -57.32 97.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 10.0 111.266 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.59 -39.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.12 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -84.6 -59.24 2.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.668 -0.682 . . . . 10.0 110.653 -179.498 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.85 -0.5 . . . . 10.0 111.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.01 119.58 54.98 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.542 0.171 . . . . 10.0 110.621 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.13 144.98 27.26 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.072 1.848 . . . . 10.0 111.631 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.16 -20.32 23.9 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.324 2.682 . . . . 10.0 113.178 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.87 -23.51 60.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.801 0.334 . . . . 10.0 111.017 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 137.17 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.07 120.2 67.65 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 37.4 Cg_endo -66.21 -17.37 54.41 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.894 2.396 . . . . 10.0 112.73 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -92.87 -38.42 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.994 0.426 . . . . 10.0 110.182 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.0 -36.54 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.32 -16.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 10.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 mm-40 -78.21 -13.19 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.281 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -62.37 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.46 -46.19 41.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.932 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -59.25 -40.51 86.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.8 mmm -64.64 -42.71 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.368 0.604 . . . . 10.0 109.689 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.11 -44.41 96.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.37 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 m -65.03 -28.1 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.803 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.9 mtm -79.17 -6.01 55.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.674 0.274 . . . . 10.0 111.109 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.12 15.97 36.91 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -103.19 122.45 44.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.256 0.55 . . . . 10.0 110.429 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -155.76 144.9 20.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.67 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 29' ' ' LEU . 7.8 p30 -95.05 153.2 17.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.309 0.576 . . . . 10.0 111.478 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -100.05 -44.22 6.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.544 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.01 61.4 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.507 -0.77 . . . . 10.0 111.914 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.84 45.42 8.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.978 -0.63 . . . . 10.0 112.308 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 31.4 p-90 -95.45 -30.53 13.83 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.841 -0.211 . . . . 10.0 111.36 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 22.5 tp -71.99 -38.48 69.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.593 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -63.47 -19.22 64.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.603 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -93.05 -33.53 14.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.19 0.519 . . . . 10.0 109.908 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.0 -38.06 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.725 -0.671 . . . . 10.0 111.049 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.47 -16.33 63.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -94.33 -17.96 22.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.798 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.92 -40.0 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 10.0 112.119 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -109.27 16.71 22.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.646 0.26 . . . . 10.0 111.129 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 68.69 175.26 0.28 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.55 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.56 26.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.674 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.57 110.13 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.039 0.447 . . . . 10.0 110.444 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.94 -42.18 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.127 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.94 73.07 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.619 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.45 84.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.268 . . . . 10.0 111.237 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.83 95.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.417 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 50' ' ' SER . 8.1 tp -71.18 -28.86 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.071 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -20.18 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -56.84 -35.96 69.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.073 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.583 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -111.21 12.77 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -178.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.4 mm-40 69.49 -30.31 0.19 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -70.79 74.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.126 0.489 . . . . 10.0 111.066 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.48 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 3.6 m -104.13 -2.81 25.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.741 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -122.2 -62.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.133 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.558 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.509 -0.637 . . . . 10.0 111.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.8 98.16 23.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 151.04 25.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.446 2.097 . . . . 10.0 112.361 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.76 -5.88 15.46 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.824 2.349 . . . . 10.0 112.195 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -75.27 -22.55 57.72 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.888 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.94 151.79 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.148 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.36 131.27 59.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.482 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 36.6 Cg_endo -64.75 -20.19 64.82 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.179 2.586 . . . . 10.0 113.176 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -93.68 -37.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.35 -42.0 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.71 -17.04 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 10.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 10.6 mm-40 -73.28 -12.5 60.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' B' ' 17' ' ' MET . 14.4 m -55.46 -32.16 62.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 10.0 110.625 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.11 -41.1 67.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.59 70.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -60.52 -44.5 95.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.501 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 13' ' ' SER . 92.9 mmm -64.43 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.341 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.88 -46.02 86.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.44 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 16.2 t -70.4 -19.16 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ttm -81.93 -12.03 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.173 0.511 . . . . 10.0 110.472 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 11.9 40.52 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.64 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.15 124.29 42.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.726 0.298 . . . . 10.0 110.299 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -150.56 148.81 29.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.156 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -110.96 137.74 48.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.046 0.451 . . . . 10.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 -22.89 25.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.695 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 21.95 7.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.493 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.31 42.86 99.89 Favored Glycine 0 C--O 1.23 -0.126 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 45.1 p-90 -96.04 -26.78 15.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 10.0 111.164 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.42 -38.32 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.22 68.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.405 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -83.61 -35.84 24.34 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.827 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.08 -35.91 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.39 -8.26 54.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -94.84 -46.16 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.954 0.407 . . . . 10.0 110.084 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 25' ' ' GLU . 2.3 p -77.91 -40.68 39.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.006 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -101.56 9.76 40.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.612 0.244 . . . . 10.0 111.019 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 69.45 178.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.645 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -92.27 35.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.35 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.87 106.53 17.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -56.61 -46.43 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.852 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.13 53.54 Favored Glycine 0 N--CA 1.454 -0.106 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.675 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.66 95.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.986 0.422 . . . . 10.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.78 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.95 -42.23 94.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.164 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.14 -28.4 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -59.48 -38.12 80.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.492 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 pt -101.19 4.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? 71.34 -51.25 0.69 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.892 0.877 . . . . 10.0 112.171 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.673 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 87.8 m-85 -54.21 100.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.987 0.423 . . . . 10.0 111.453 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -116.1 -35.27 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -94.34 -69.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.306 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.554 -0.736 . . . . 10.0 110.049 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -85.63 112.82 47.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.626 0.213 . . . . 10.0 110.918 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.75 161.54 41.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.714 2.276 . . . . 10.0 112.158 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.43 -4.9 10.29 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.095 2.53 . . . . 10.0 112.801 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.07 -21.43 43.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.581 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.29 133.7 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.418 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.4 125.9 92.14 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.007 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.44 -22.37 74.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 114.04 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -93.36 -40.58 10.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.687 0.28 . . . . 10.0 110.861 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.73 -41.67 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.363 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.74 -23.71 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.052 0.453 . . . . 10.0 111.443 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.08 -12.04 61.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.669 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -56.19 -33.93 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 10.0 110.52 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.71 -44.9 63.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -37.44 87.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.498 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -62.53 -44.31 96.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.6 mmm -63.56 -41.8 98.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.45 -40.03 93.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.268 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -74.39 -17.41 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.047 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 49.9 ttm -84.96 -8.6 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.048 0.452 . . . . 10.0 110.172 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.26 11.59 36.0 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.652 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -97.12 124.5 41.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 m -146.99 143.33 28.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.062 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' HA2' ' A' ' 27' ' ' GLY . 3.9 p30 -101.73 158.23 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.36 0.6 . . . . 10.0 111.646 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -47.0 2.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.023 -0.99 . . . . 10.0 108.997 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.53 5.89 77.43 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.864 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA2' ' OD1' ' A' ' 24' ' ' ASP . . . 77.42 40.78 22.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.536 -0.364 . . . . 10.0 112.975 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p-90 -95.99 -24.05 16.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.767 0.654 . . . . 10.0 112.767 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 22' ' ' PHE . 57.3 tp -62.39 -41.9 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 10.0 110.612 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -69.52 -12.71 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -94.15 -39.09 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.59 -38.48 81.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.692 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.14 -9.39 58.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -96.2 -46.08 6.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.891 0.377 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -76.21 -36.98 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.232 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -110.8 17.48 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.685 0.279 . . . . 10.0 111.749 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 t30 69.03 171.83 0.3 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.675 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.73 33.28 0.47 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.57 105.43 13.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.896 0.379 . . . . 10.0 110.411 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.8 -45.54 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.278 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.56 -41.47 98.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.666 0.27 . . . . 10.0 110.885 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.59 96.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 6.5 mp -64.06 -41.93 97.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.61 -21.35 61.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.541 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -59.6 -37.72 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.448 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' B' ' 47' ' ' ILE . 40.8 pt -111.72 7.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.314 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 50.4 mm-40 71.94 -39.02 0.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.695 0.798 . . . . 10.0 113.004 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -57.15 97.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.224 0.535 . . . . 10.0 111.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -34.45 6.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.852 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -121.53 -64.92 1.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.069 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.13 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.57 -0.612 . . . . 10.0 111.57 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.76 105.31 20.23 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.294 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 86.0 Cg_endo -86.93 148.75 8.24 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.576 2.184 . . . . 10.0 112.385 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 24.0 Cg_exo -65.12 -4.95 9.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.699 2.266 . . . . 10.0 112.128 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.12 -17.6 56.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.201 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.57 136.71 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.262 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.97 131.0 91.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.575 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 22.7 Cg_endo -60.71 -21.84 71.03 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.969 2.446 . . . . 10.0 113.054 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 9' ' ' ARG . 3.9 mtm180 -93.33 -28.07 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.746 0.308 . . . . 10.0 110.412 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.29 -40.09 77.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 10.0 110.528 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.03 -19.63 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 10.0 111.204 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 4.5 mm-40 -71.63 -12.9 61.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.646 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.2 m -56.74 -36.4 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 10.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.76 -46.5 62.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.904 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -38.84 90.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.236 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.68 -46.11 91.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -64.83 -39.76 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -47.11 87.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.44 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -68.82 -21.47 64.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.078 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.9 ttm -79.49 -6.34 56.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.26 12.61 54.29 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.508 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -96.43 122.78 39.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.162 0.506 . . . . 10.0 110.683 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -153.87 131.6 11.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.116 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -87.42 156.3 19.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.094 0.473 . . . . 10.0 111.606 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -28.61 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.18 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.01 12.8 17.16 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.872 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 38.99 57.73 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.928 -0.653 . . . . 10.0 113.218 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -96.64 -19.52 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 tp -70.57 -36.54 73.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -69.04 -14.59 63.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.145 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.45 -35.94 13.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.456 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -37.72 79.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.792 . . . . 10.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.91 -9.19 54.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.346 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -94.05 -39.41 10.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.881 0.372 . . . . 10.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -89.41 -39.22 13.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 10.0 112.091 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 11.23 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.134 -0.226 . . . . 10.0 110.927 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.8 t30 69.73 170.37 0.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.852 0.72 . . . . 10.0 111.231 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -84.9 34.78 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -90.27 110.51 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.064 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.5 -42.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.224 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -49.39 79.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.38 95.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.803 0.335 . . . . 10.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.81 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.395 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.54 -39.62 94.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 10.0 111.227 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.04 -6.44 52.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.733 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.0 m -70.02 -34.38 73.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' A' ' 47' ' ' ILE . 45.4 pt -114.01 15.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 71.07 -37.52 0.4 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.916 0.71 . . . . 10.0 112.916 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 98.6 m-85 -63.6 88.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 10.0 110.791 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -115.07 -51.1 2.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.462 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -74.06 -39.51 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.082 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.606 -0.711 . . . . 10.0 109.944 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.672 -0.571 . . . . 10.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 4.3 m -91.83 109.12 34.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.607 0.203 . . . . 10.0 110.649 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' SER . 6.0 Cg_exo -77.72 163.28 29.21 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.0 2.466 . . . . 10.0 111.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.62 -17.52 60.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.716 2.277 . . . . 10.0 112.0 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.51 -17.17 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.97 127.88 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.254 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 11.2 t70 -63.21 120.81 65.02 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.68 -17.92 61.02 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.912 2.408 . . . . 10.0 113.119 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -93.28 -40.16 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 30.7 tp -68.88 -37.3 78.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.236 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 tt -67.47 -22.17 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.085 0.469 . . . . 10.0 110.999 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.12 -13.11 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.717 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.3 m -60.11 -35.64 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 10.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.78 -48.91 62.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.019 0.437 . . . . 10.0 110.25 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -33.43 76.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -58.95 -46.42 88.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.159 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.13 -42.1 99.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.783 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.415 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -68.48 -26.52 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mmm -78.86 -2.94 42.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.815 0.341 . . . . 10.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.97 57.69 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.089 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.72 124.71 45.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.029 0.442 . . . . 10.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -147.41 160.25 42.78 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.428 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -117.64 147.97 42.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.474 0.654 . . . . 10.0 111.141 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 -44.74 5.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.13 -0.941 . . . . 10.0 109.251 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.09 -4.9 68.4 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.121 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.87 39.7 9.28 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.877 -0.677 . . . . 10.0 112.728 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.1 p-90 -96.29 -15.02 22.18 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.779 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.19 -43.37 74.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.916 0.388 . . . . 10.0 109.969 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -65.73 -25.41 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.499 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -82.64 -33.26 27.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.944 0.402 . . . . 10.0 109.922 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.88 -40.42 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.395 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.24 -13.22 62.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.559 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -94.17 -30.69 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.884 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 -44.51 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HE3' ' HB1' ' A' ' 42' ' ' ALA . 33.2 tttp -99.27 13.37 33.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.95 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 69.98 173.14 0.3 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.72 34.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.017 0.437 . . . . 10.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.94 104.28 15.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.67 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -57.74 -46.04 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.353 -0.84 . . . . 10.0 111.398 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.4 94.02 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.106 -0.569 . . . . 10.0 112.95 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' HE3' ' A' ' 36' ' ' LYS . . . -72.14 -44.2 63.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 10.0 110.995 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.02 93.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.086 0.47 . . . . 10.0 111.945 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.9 -9.7 59.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.338 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.9 m -65.43 -33.98 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 pt -111.03 17.64 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.743 0.645 . . . . 10.0 112.743 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.5 mm-40 68.54 -41.6 0.46 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.553 0.946 . . . . 10.0 113.553 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 75.6 m-85 -64.87 84.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.076 0.465 . . . . 10.0 112.015 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.66 -15.16 13.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.424 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -110.87 -73.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.977 -0.449 . . . . 10.0 111.977 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -101.39 104.45 33.71 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 10.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 95.5 Cg_endo -86.16 157.21 9.78 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.545 2.163 . . . . 10.0 112.526 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 23.1 Cg_exo -65.2 -12.29 34.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.784 2.322 . . . . 10.0 111.922 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -79.94 -15.16 57.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.858 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.72 140.66 31.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.693 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 10.3 t0 -65.75 122.0 78.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.489 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.577 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 37.7 Cg_endo -65.09 -21.62 62.81 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.069 2.513 . . . . 10.0 113.602 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -93.99 -40.89 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.779 0.324 . . . . 10.0 110.584 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 20.1 tp -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.34 -16.49 20.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.057 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 48.2 mm-40 -77.26 -12.54 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.855 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -53.98 -34.0 58.56 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.68 0.276 . . . . 10.0 111.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.0 -45.27 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.743 0.306 . . . . 10.0 110.686 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -37.19 85.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.555 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.82 -44.0 90.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.61 -40.43 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -63.31 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.151 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -22.25 62.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.125 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 42.0 ttm -75.72 -13.01 60.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.255 0.55 . . . . 10.0 110.361 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.6 20.38 15.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.099 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -106.44 125.8 51.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -142.9 137.57 29.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.85 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -119.95 146.9 45.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.017 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.01 16.34 10.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.89 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 4.51 9.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 27.7 72.64 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 111.445 -0.662 . . . . 10.0 111.445 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 30.4 p-90 -96.88 -19.25 18.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 39.5 tp -69.61 -43.13 73.39 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' B' ' 34' ' ' GLN . 7.6 t -63.79 -21.73 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.628 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -93.3 -27.51 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.262 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -63.96 -40.64 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.728 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.68 -9.29 58.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.942 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 30' ' ' THR . 35.1 mm-40 -95.35 -38.95 10.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.954 0.407 . . . . 10.0 110.401 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -78.6 -44.36 24.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.858 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -105.23 15.48 27.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.905 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 64.55 -175.76 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.375 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.76 35.07 0.67 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.077 0.465 . . . . 10.0 110.858 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.01 95.61 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.56 -41.16 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.566 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.19 -47.65 89.77 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.95 93.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.703 0.287 . . . . 10.0 111.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.71 93.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.402 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.24 -38.32 90.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 10.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.9 -29.75 67.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -56.53 -41.83 77.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.174 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 pt -103.64 1.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 13.5 mm-40 70.85 -42.82 0.54 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.575 0.75 . . . . 10.0 112.798 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . 0.641 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 60.0 m-85 -61.27 93.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 111.266 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -15.02 4.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.421 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -131.85 11.68 4.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.578 0.228 . . . . 10.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.696 -0.668 . . . . 10.0 109.383 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.653 -0.579 . . . . 10.0 111.653 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -89.81 109.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 87.8 Cg_endo -82.52 159.13 16.89 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.381 2.054 . . . . 10.0 112.226 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 27.5 Cg_exo -63.29 -12.98 33.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.781 2.321 . . . . 10.0 111.75 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.62 -22.04 54.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.706 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.73 137.47 38.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.41 126.5 86.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.454 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 36.0 Cg_endo -64.33 -19.03 65.2 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.863 2.375 . . . . 10.0 112.87 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -92.27 -28.12 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.776 0.322 . . . . 10.0 111.259 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.4 -28.16 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 10.0 110.68 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -77.89 -23.34 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.299 0.571 . . . . 10.0 110.476 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 35.4 mm-40 -78.76 -13.31 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.652 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -60.4 -30.23 69.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.156 0.503 . . . . 10.0 109.865 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.57 -48.01 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.671 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -32.28 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.5 -44.2 89.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.526 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mmm -65.33 -39.78 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.124 0.488 . . . . 10.0 109.959 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.91 -43.58 95.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.357 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t -67.66 -31.71 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.192 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -67.64 -29.81 69.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.331 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.52 19.81 6.44 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -110.6 123.37 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.457 . . . . 10.0 110.304 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -152.65 153.66 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.379 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.16 156.97 17.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.016 0.436 . . . . 10.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -110.41 -28.26 8.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.728 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 6.96 48.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.24 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 37.68 56.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.315 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 67.5 p-90 -96.58 -34.73 11.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.45 -39.37 85.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 10.0 110.067 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -63.1 -14.42 48.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.103 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -94.51 -40.54 9.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.66 -32.18 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.31 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -11.34 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.255 0.55 . . . . 10.0 110.925 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.42 -40.28 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.17 0.509 . . . . 10.0 110.334 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 -33.98 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.186 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -111.6 18.82 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.73 -177.29 0.21 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.649 0.593 . . . . 10.0 111.773 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -92.76 25.21 3.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.835 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.18 101.57 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -54.43 -40.35 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.461 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.11 54.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.958 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.95 98.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.693 0.283 . . . . 10.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.03 83.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.71 -32.85 74.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.55 -35.28 73.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.27 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -58.86 -31.3 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.613 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' B' ' 47' ' ' ILE . 1.6 pp -101.31 0.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.669 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 68.92 -53.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.812 1.041 . . . . 10.0 113.812 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.655 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 74.2 m-85 -55.65 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.243 0.544 . . . . 10.0 112.142 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.1 -45.91 3.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.14 -57.19 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.356 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.714 -0.66 . . . . 10.0 110.554 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.837 -0.505 . . . . 10.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -102.1 102.09 22.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.7 0.286 . . . . 10.0 110.358 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 89.0 Cg_endo -78.91 151.09 24.06 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.391 2.061 . . . . 10.0 112.385 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -64.61 -10.2 23.62 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.928 2.419 . . . . 10.0 112.161 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -76.27 -25.33 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.117 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.14 33.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.577 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.13 128.38 85.16 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.78 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 25.5 Cg_endo -60.51 -22.35 71.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.158 2.572 . . . . 10.0 113.348 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -93.2 -27.65 16.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.857 0.36 . . . . 10.0 110.244 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 tp -69.96 -37.34 75.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.37 -20.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.184 0.516 . . . . 10.0 110.17 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 23.3 mm-40 -77.06 -13.96 59.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.213 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -63.22 -29.97 71.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.277 0.561 . . . . 10.0 109.82 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.42 -42.99 52.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.95 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -28.87 68.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.643 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -61.07 -37.2 81.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.561 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.3 mmm -67.57 -46.09 73.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.02 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.237 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -27.74 68.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 46.3 ttm -82.27 -14.7 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.05 10.83 41.46 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.033 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.93 122.8 44.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.41 0.624 . . . . 10.0 110.97 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -154.87 156.79 36.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -99.58 169.38 9.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 10.0 111.523 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -48.8 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.176 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.47 7.7 68.75 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.594 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.08 44.98 16.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.487 -0.387 . . . . 10.0 113.05 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 39.6 p-90 -95.67 -27.34 15.34 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.815 0.308 . . . . 10.0 111.541 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.77 -39.31 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.007 0.432 . . . . 10.0 110.315 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -61.41 -27.77 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.287 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -83.37 -38.15 22.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.371 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.17 -44.44 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.704 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -16.0 63.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -93.76 -20.63 19.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.717 0.294 . . . . 10.0 110.424 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 25' ' ' GLU . 1.2 m -100.07 -31.59 11.35 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.862 0.363 . . . . 10.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -106.24 12.85 29.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 70.84 175.03 0.3 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.634 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -86.72 27.78 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.126 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.98 115.72 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.458 . . . . 10.0 110.679 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -65.51 -36.56 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.32 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.24 -54.61 36.44 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.149 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.69 87.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.995 0.426 . . . . 10.0 110.602 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.96 -51.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.153 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.15 -40.75 96.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.247 0.546 . . . . 10.0 111.689 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -67.9 -17.45 64.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.21 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.3 m -63.95 -37.19 86.5 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.923 1.082 . . . . 10.0 113.923 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 47' ' ' ILE . 41.6 pt -125.27 26.41 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -176.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.655 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 mm-40 71.33 -53.88 0.68 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.245 0.618 . . . . 10.0 112.511 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -47.67 110.57 0.33 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.35 0.595 . . . . 10.0 112.05 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -144.15 -69.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.354 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -77.48 -40.14 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.157 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 179.47 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 112.107 -0.397 . . . . 10.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.28 96.43 35.23 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.31 151.5 26.38 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.412 2.075 . . . . 10.0 112.63 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.87 -6.09 18.38 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.379 2.053 . . . . 10.0 111.177 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -84.71 -0.77 54.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.88 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.29 137.04 46.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.357 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.86 128.96 87.32 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.038 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.47 -25.27 75.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.175 2.584 . . . . 10.0 112.698 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 60.8 mtm180 -86.58 -28.36 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 10.0 110.271 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 tp -68.81 -35.84 77.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.726 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -78.34 -14.53 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.484 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 4.0 mm-40 -69.1 -18.68 64.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.026 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -59.98 -29.12 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.1 -43.85 18.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.162 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -36.05 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.673 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.03 -41.73 97.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.12 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 mmt -64.99 -45.41 85.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.035 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.67 -43.05 98.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -74.53 -20.47 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.291 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.57 -10.62 59.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.38 11.42 59.64 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.78 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -102.68 121.66 42.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.842 0.83 . . . . 10.0 110.584 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -157.28 140.02 15.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.566 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -107.98 165.99 11.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' HB ' ' B' ' 35' ' ' THR . 0.0 OUTLIER -116.76 4.19 13.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.558 0.947 . . . . 10.0 113.558 -177.394 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -117.94 -5.73 13.29 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 119.747 -1.216 . . . . 10.0 112.394 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 83.82 28.61 34.41 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 56.9 p-90 -96.93 -29.61 13.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 48.2 tp -72.96 -37.31 67.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -66.56 -20.26 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.428 0.632 . . . . 10.0 110.112 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -91.16 -31.1 16.33 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.897 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.112 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.69 -11.14 60.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.267 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -94.88 -34.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.71 12.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -91.21 5.94 47.11 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.391 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 69.85 173.61 0.3 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -82.6 46.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.283 0.564 . . . . 10.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.5 102.03 13.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.387 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.32 -41.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.532 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.34 -50.7 60.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.902 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.23 99.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.913 -0.169 . . . . 10.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.49 79.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.708 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.92 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 10.0 111.471 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -76.92 -8.0 56.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.563 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.5 m -81.79 -24.97 35.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.841 0.312 . . . . 10.0 111.841 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 pt -115.34 18.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.723 -0.391 . . . . 10.0 111.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 71.3 -50.17 0.69 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.302 0.641 . . . . 10.0 112.352 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 84.2 m-85 -62.23 100.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.937 0.399 . . . . 10.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -112.22 -40.64 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.103 0.478 . . . . 10.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -102.15 -70.47 0.75 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.368 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.815 -0.612 . . . . 10.0 109.657 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.806 -0.518 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -93.89 108.13 32.75 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.63 0.252 . . . . 10.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 75.2 Cg_endo -90.39 142.44 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.916 2.41 . . . . 10.0 112.597 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 15.7 Cg_exo -70.3 -4.2 13.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.483 2.122 . . . . 10.0 111.949 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.93 -27.29 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.12 143.69 27.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.72 131.62 89.45 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.563 -0.289 . . . . 10.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.68 -22.8 74.25 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 10.0 112.74 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.99 -15.93 35.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.37 . . . . 10.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.94 -32.27 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 10.0 109.886 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.0 tt -89.67 -8.92 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.72 -23.47 65.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.32 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -31.78 71.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.032 0.444 . . . . 10.0 110.314 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.29 -47.11 52.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.975 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.565 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -60.83 -46.42 90.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.019 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mmm -61.83 -36.64 81.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 10.0 109.887 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.49 -43.25 90.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.118 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -68.02 -22.86 64.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.819 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mmm -81.6 -4.96 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.44 . . . . 10.0 110.3 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.27 28.71 43.47 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.216 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.69 122.85 46.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -141.58 158.45 43.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.78 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' B' ' 28' ' ' TRP . 20.5 p-10 -120.44 116.88 26.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.267 0.556 . . . . 10.0 111.268 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.31 -43.11 58.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.9 8.56 79.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 46.79 79.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.222 -0.513 . . . . 10.0 112.522 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 53.7 p-90 -96.45 -24.82 15.93 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.647 -0.325 . . . . 10.0 111.513 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.4 -39.3 32.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.836 0.35 . . . . 10.0 110.738 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.485 HG23 ' HG2' ' B' ' 31' ' ' ARG . 9.7 t -59.14 -26.44 64.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.326 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' B' ' 30' ' ' THR . 0.5 OUTLIER -88.46 -30.8 19.14 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.33 0.586 . . . . 10.0 109.882 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.54 -42.23 98.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.253 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -70.37 -15.74 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.429 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 30' ' ' THR . 81.9 mm-40 -92.87 -19.51 21.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.92 0.391 . . . . 10.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.452 ' HB ' ' OE2' ' A' ' 25' ' ' GLU . 1.3 p -98.41 -38.26 9.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.677 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -105.72 12.41 31.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.173 -0.211 . . . . 10.0 110.993 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.77 176.02 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.874 0.734 . . . . 10.0 111.376 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -85.64 45.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.253 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -100.24 109.43 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.841 0.353 . . . . 10.0 110.197 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -64.8 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.475 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.72 55.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.4 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.24 91.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.605 0.241 . . . . 10.0 111.19 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 -51.64 66.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.99 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.89 -45.06 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.478 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.43 -36.43 78.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 112.017 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.2 m -60.6 -33.83 73.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.004 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 pt -105.1 5.51 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 7.5 mm-40 71.8 -41.34 0.5 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.459 0.704 . . . . 10.0 112.643 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -64.32 83.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.121 0.486 . . . . 10.0 111.286 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -111.44 -24.17 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.497 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -121.11 -63.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.24 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.582 -0.723 . . . . 10.0 109.647 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 112.155 -0.378 . . . . 10.0 112.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -110.77 104.85 56.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.311 . . . . 10.0 110.557 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.28 162.13 25.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.629 2.219 . . . . 10.0 111.906 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.36 -6.46 16.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.76 2.307 . . . . 10.0 111.897 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.86 -8.57 57.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.039 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.58 131.19 37.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.266 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -68.74 127.92 93.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.516 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.19 -25.12 76.77 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.014 2.476 . . . . 10.0 113.108 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -86.1 -28.71 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.414 . . . . 10.0 110.213 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.0 tt -73.05 -26.93 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.669 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.57 -13.69 62.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.393 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.7 m -71.0 -24.95 62.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.159 0.504 . . . . 10.0 109.857 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -80.39 -46.81 15.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.129 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.74 74.4 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.042 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -63.27 -37.41 87.12 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.637 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.9 mmm -66.13 -41.8 89.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.591 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.2 -40.18 95.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.102 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -72.47 -21.4 61.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.907 0.384 . . . . 10.0 111.293 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 mmm -75.97 -19.95 58.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.62 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.47 18.84 8.74 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.597 -0.811 . . . . 10.0 111.271 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.21 123.06 42.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -135.04 154.5 51.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' OD2' ' HA2' ' A' ' 27' ' ' GLY . 5.0 p-10 -121.39 143.53 49.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.961 0.41 . . . . 10.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -49.55 4.67 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.134 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.18 -7.48 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.267 -0.733 . . . . 10.0 111.267 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' HA2' ' OD2' ' A' ' 24' ' ' ASP . . . 94.81 29.19 9.38 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.296 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -72.6 -21.31 61.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.36 -0.494 . . . . 10.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.6 tp -62.82 -52.74 61.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -63.71 -29.43 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.563 0.221 . . . . 10.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -72.4 -42.03 65.64 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.99 -33.4 75.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 96.2 mt -71.43 -15.22 62.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -95.41 -20.1 19.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.388 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 p -98.56 -42.74 7.15 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.042 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -104.08 12.99 33.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.31 -0.405 . . . . 10.0 111.478 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.2 t30 66.62 -178.05 0.2 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.946 -0.57 . . . . 10.0 111.091 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -88.29 25.4 1.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.009 0.433 . . . . 10.0 110.177 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.78 97.01 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.271 0.557 . . . . 10.0 110.647 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.7 -40.21 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.984 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.04 -25.07 69.16 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.181 -0.533 . . . . 10.0 112.804 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.79 -43.06 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.628 -0.336 . . . . 10.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.15 93.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -64.59 -34.26 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.113 0.482 . . . . 10.0 110.747 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.27 -25.81 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.052 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.7 -31.53 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.781 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 pt -108.54 9.48 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.913 -0.315 . . . . 10.0 111.704 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.66 -47.06 0.66 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.866 0.691 . . . . 10.0 112.866 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -53.78 100.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.099 0.476 . . . . 10.0 112.213 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -111.59 -31.77 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -117.36 -57.69 2.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.481 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 t60 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.471 -0.776 . . . . 10.0 109.769 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.839 -0.504 . . . . 10.0 111.839 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -106.95 101.18 36.15 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 16.0 Cg_exo -68.24 143.79 60.13 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.556 2.17 . . . . 10.0 111.9 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -63.02 -4.39 6.09 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.013 2.475 . . . . 10.0 112.844 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -87.53 -8.35 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 10.0 110.924 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.19 139.04 30.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.473 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.87 124.94 89.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.22 -19.55 68.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.976 2.45 . . . . 10.0 112.992 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -91.5 -24.53 19.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.993 0.425 . . . . 10.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.73 -38.05 67.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.135 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.16 -24.39 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 10.0 110.088 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -74.38 -13.63 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.119 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.76 -27.63 69.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.271 0.558 . . . . 10.0 109.935 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 -42.69 18.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.219 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -39.66 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.722 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.08 -36.52 72.95 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.566 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mmt -62.16 -43.33 99.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.807 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.28 -39.25 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.472 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -67.91 -23.46 65.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.107 0.479 . . . . 10.0 110.785 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 77.4 mmm -84.86 -7.74 59.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.246 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.43 1.68 64.14 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.127 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.4 123.41 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.217 0.532 . . . . 10.0 109.84 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 142.18 24.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -105.24 153.53 21.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.473 0.654 . . . . 10.0 111.553 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -43.97 5.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.2 79.19 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.555 -0.748 . . . . 10.0 112.222 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 38.64 29.2 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 121.303 -0.475 . . . . 10.0 113.083 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 -96.55 -15.71 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 10.0 112.789 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 57.2 tp -70.48 -43.41 69.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.034 0.445 . . . . 10.0 110.042 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -67.03 -13.11 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.457 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -93.73 -44.18 8.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.115 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.52 -35.44 75.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.703 -0.681 . . . . 10.0 111.18 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.81 -12.69 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.699 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -94.29 -43.2 8.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.733 0.302 . . . . 10.0 110.651 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -44.84 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 10.0 112.15 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -95.32 8.36 43.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.656 0.265 . . . . 10.0 111.135 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 69.99 171.39 0.31 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -81.12 38.39 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.223 0.535 . . . . 10.0 110.742 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -84.36 90.67 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.923 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.6 mt -53.39 -47.9 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.837 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.67 -37.69 93.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.05 -0.595 . . . . 10.0 112.578 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' B' ' 39' ' ' ASP . . . -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.944 0.402 . . . . 10.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.69 94.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -33.14 75.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 10.0 110.814 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.0 -20.85 51.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.202 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.3 m -62.22 -32.15 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.346 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' H ' ' B' ' 49' ' ' TYR . 38.8 pt -114.58 2.18 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.958 -0.297 . . . . 10.0 111.407 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 68.77 -14.17 0.29 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.559 0.948 . . . . 10.0 113.559 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.406 ' H ' HG13 ' B' ' 47' ' ' ILE . 61.1 m-85 -77.94 69.97 4.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.191 0.52 . . . . 10.0 110.953 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 -18.48 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.547 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -94.81 -50.2 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.054 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 -179.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.587 -0.605 . . . . 10.0 111.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -74.72 124.19 89.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.79 0.295 . . . . 10.0 110.637 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.33 166.52 22.35 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.636 2.224 . . . . 10.0 111.58 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.19 -17.94 22.01 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.732 2.288 . . . . 10.0 112.577 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -70.98 -19.19 62.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.67 132.79 35.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -66.6 126.65 92.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.81 -20.32 70.89 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.022 2.481 . . . . 10.0 112.952 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -88.56 -41.43 12.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.817 0.341 . . . . 10.0 110.692 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.45 -37.61 87.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.201 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -75.41 -22.74 16.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 10.0 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.05 -13.48 60.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.489 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.16 -29.21 69.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 10.0 109.871 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -73.07 -47.22 46.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.73 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -37.81 87.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.616 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -58.88 -40.7 85.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.981 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mmm -66.01 -40.62 91.26 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.033 0.445 . . . . 10.0 110.158 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.91 -41.37 91.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.415 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -68.81 -14.47 63.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.168 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.9 ttm -90.24 -3.14 58.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.277 0.561 . . . . 10.0 110.02 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.97 57.15 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.681 -0.691 . . . . 10.0 112.994 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -109.34 123.62 49.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.024 0.44 . . . . 10.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.76 169.39 18.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -120.71 156.28 32.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.144 0.497 . . . . 10.0 111.019 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.37 -49.54 3.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.58 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.88 3.13 84.72 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.914 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.06 47.09 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.558 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 28.8 p-90 -96.49 -25.07 15.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.97 0.359 . . . . 10.0 111.97 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.84 -39.89 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 10.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -64.78 -22.42 66.98 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.123 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -94.65 -31.76 13.69 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.58 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -59.94 -40.48 89.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.66 -7.61 51.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.75 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -88.67 -34.17 17.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.699 0.285 . . . . 10.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -98.87 -9.86 23.68 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -126.42 8.92 7.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.633 0.254 . . . . 10.0 110.68 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 69.0 168.11 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.854 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.94 36.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.916 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.18 106.5 14.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.94 0.4 . . . . 10.0 110.186 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.33 -39.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.539 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.72 -55.6 26.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.189 -0.529 . . . . 10.0 112.534 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.53 79.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.345 0.117 . . . . 10.0 110.992 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.24 74.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.67 -33.28 74.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.971 0.415 . . . . 10.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.2 -31.54 67.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.762 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -61.22 -33.03 72.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.663 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 pt -106.71 6.51 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.761 -0.376 . . . . 10.0 111.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 3.8 mm-40 69.5 -38.58 0.41 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.38 79.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 10.0 111.095 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -100.24 -19.4 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -114.1 -67.51 0.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.858 0.361 . . . . 10.0 110.458 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 108.696 -0.853 . . . . 10.0 108.696 179.568 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.511 -0.635 . . . . 10.0 111.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -107.32 98.36 22.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.794 0.33 . . . . 10.0 110.72 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -81.0 169.92 15.76 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.799 2.332 . . . . 10.0 112.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.16 -12.02 21.36 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.868 2.379 . . . . 10.0 112.176 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -70.27 -25.08 63.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.367 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.737 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.04 129.09 89.85 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.93 -25.2 74.16 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.706 2.271 . . . . 10.0 112.74 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -87.07 -24.49 24.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 10.0 110.248 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -74.12 -42.34 60.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.076 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.6 tt -71.36 -24.21 23.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.432 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.64 -15.33 63.17 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.261 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -68.13 -28.07 66.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.21 0.529 . . . . 10.0 109.991 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.59 -48.22 23.25 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.282 0.563 . . . . 10.0 109.508 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -29.05 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.421 -0.809 . . . . 10.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -59.5 -44.91 93.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.264 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.0 mmm -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.928 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.01 -39.09 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.706 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -68.85 -23.99 64.3 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.802 0.334 . . . . 10.0 111.355 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 80.4 mmm -83.49 -10.14 58.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.99 25.45 11.33 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.976 -0.63 . . . . 10.0 112.186 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -106.99 123.56 48.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.929 0.395 . . . . 10.0 110.752 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.01 145.09 18.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.87 178.18 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.8 -0.36 . . . . 10.0 111.447 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -104.77 -60.78 1.55 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 -177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.55 -15.32 61.53 Favored Glycine 0 N--CA 1.463 0.444 0 N-CA-C 114.828 0.691 . . . . 10.0 114.828 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.28 38.52 4.77 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.281 -0.728 . . . . 10.0 111.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 42.5 p-90 -95.2 -23.66 17.16 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.001 -0.28 . . . . 10.0 111.696 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.8 -44.65 73.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -70.55 -16.27 62.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.303 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -90.65 -41.0 11.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.202 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.53 -35.07 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.2 -8.51 55.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.615 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -94.42 -39.16 10.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 10.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -86.03 -31.21 22.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.182 -0.463 . . . . 10.0 112.128 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -111.25 11.63 21.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.797 -0.183 . . . . 10.0 111.481 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 63.0 t30 70.32 168.74 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.76 0.662 . . . . 10.0 111.571 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -87.31 35.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.863 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -82.96 108.83 16.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.423 ' H ' HG13 ' B' ' 40' ' ' ILE . 14.0 mt -61.65 -34.41 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.85 -50.62 62.22 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.907 -0.664 . . . . 10.0 111.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.08 -35.09 77.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.622 0.248 . . . . 10.0 111.045 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.42 58.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.771 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.81 -33.88 74.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.029 0.442 . . . . 10.0 111.192 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.58 -38.1 86.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.253 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 58.4 m -54.18 -39.9 67.06 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.14 9.32 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.36 -40.27 0.47 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.697 . . . . 10.0 112.754 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 87.4 m-85 -60.28 99.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.06 0.457 . . . . 10.0 111.042 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -119.93 -42.75 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -78.59 -69.84 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.371 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.727 -0.654 . . . . 10.0 109.618 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.004 -0.438 . . . . 10.0 112.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -93.49 112.29 55.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.736 0.303 . . . . 10.0 110.194 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 74.2 Cg_endo -78.31 148.27 23.75 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.629 2.219 . . . . 10.0 112.562 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 16.8 Cg_exo -68.03 -10.44 28.88 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.686 2.258 . . . . 10.0 111.885 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -85.05 -5.08 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.488 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.82 141.44 28.63 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.178 -0.465 . . . . 10.0 109.814 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.41 118.72 66.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 121.098 -0.241 . . . . 10.0 110.763 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.21 -22.69 58.24 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.139 2.559 . . . . 10.0 112.984 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -87.66 -39.98 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.782 0.325 . . . . 10.0 110.658 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.47 -41.81 92.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.1 tt -68.99 -18.99 23.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 10.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.35 -13.63 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.365 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.7 m -61.57 -31.84 71.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.091 0.472 . . . . 10.0 110.233 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.21 -44.34 53.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.989 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -36.87 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.027 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -60.36 -36.64 78.48 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.325 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.484 ' HG2' ' O ' ' A' ' 13' ' ' SER . 87.0 mmm -64.58 -36.13 83.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 10.0 110.136 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.67 -43.97 91.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.44 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.57 -26.63 66.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 10.0 110.58 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.6 ttm -75.64 -18.34 59.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.613 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.72 11.44 40.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.394 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.42 123.34 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 10.0 110.013 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.55 137.61 26.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.214 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' CG ' ' HB3' ' A' ' 29' ' ' LEU . 19.5 p-10 -114.85 121.71 44.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.213 0.53 . . . . 10.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -42.95 16.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.759 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.07 2.37 81.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.496 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.23 39.19 71.89 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.129 -0.558 . . . . 10.0 112.046 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 54.3 p-90 -91.22 -34.01 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.898 0.332 . . . . 10.0 111.898 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 24' ' ' ASP . 19.5 tp -71.78 -36.07 70.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.766 0.317 . . . . 10.0 110.264 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -21.56 64.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.245 0.545 . . . . 10.0 110.478 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -93.99 -35.08 12.79 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.817 -0.628 . . . . 10.0 109.759 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.06 -37.88 86.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.65 -12.13 59.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -95.57 -36.28 11.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.346 . . . . 10.0 110.996 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -84.29 -43.25 15.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.762 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 11.07 36.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.688 0.28 . . . . 10.0 111.002 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 67.26 177.53 0.24 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.042 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -87.16 36.86 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.854 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -90.55 102.26 15.0 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.88 -35.94 63.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.368 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.34 75.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.283 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.45 -42.43 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.734 0.302 . . . . 10.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.76 75.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.818 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.0 -40.56 95.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.94 -31.28 72.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -59.86 -34.8 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' B' ' 47' ' ' ILE . 33.0 pt -109.48 5.12 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.998 -0.281 . . . . 10.0 111.576 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.43 -44.41 0.54 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.847 0.859 . . . . 10.0 112.976 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -50.65 112.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 10.0 112.08 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -30.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.715 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -107.19 -55.09 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.699 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.737 -0.649 . . . . 10.0 109.797 179.666 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.49 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.628 -0.589 . . . . 10.0 111.628 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -94.45 104.03 12.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 4.4 Cg_exo -76.6 139.15 20.01 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.63 2.22 . . . . 10.0 111.973 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 25.9 Cg_exo -64.08 -11.16 26.12 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.618 2.212 . . . . 10.0 112.623 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.53 -16.08 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 10.0 110.153 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.04 159.81 23.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.398 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 11.8 t0 -74.87 117.62 64.02 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.018 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.52 -15.12 46.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.72 2.28 . . . . 10.0 113.359 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -93.71 -38.12 11.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.039 0.447 . . . . 10.0 110.335 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 42.9 tp -65.91 -35.37 80.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 tt -69.33 -16.83 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.53 -12.8 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.356 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 6.5 m -60.24 -33.51 72.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 10.0 110.278 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -74.23 -42.9 58.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.729 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -38.23 89.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.446 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.66 -39.75 89.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 88.7 mmm -66.31 -37.6 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.124 0.488 . . . . 10.0 110.044 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.626 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -69.26 -13.33 62.33 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.3 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.7 ttm -82.87 -9.34 59.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.221 0.534 . . . . 10.0 109.635 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.3 23.36 27.07 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.301 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -122.27 122.12 38.36 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.431 0.634 . . . . 10.0 110.256 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -146.56 140.74 26.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.882 -1.053 . . . . 10.0 108.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -92.47 140.82 29.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.347 0.594 . . . . 10.0 111.307 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.95 -38.34 9.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.641 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.74 10.43 72.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.73 -0.748 . . . . 10.0 111.923 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.98 37.84 93.58 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 121.298 -0.477 . . . . 10.0 112.461 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 62.0 p-90 -96.3 -26.0 15.55 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 22.8 tp -73.75 -37.36 65.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.028 0.442 . . . . 10.0 110.132 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -65.18 -20.17 66.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.103 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -89.51 -28.44 19.63 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.635 0.731 . . . . 10.0 109.059 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.95 -42.69 94.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.62 -13.04 62.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.011 -0.54 . . . . 10.0 111.505 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -93.31 -26.1 17.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.891 0.377 . . . . 10.0 110.813 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -99.43 -25.8 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 10.0 112.129 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.05 14.85 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 10.0 111.104 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.65 166.91 0.24 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.537 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -81.25 54.94 2.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.917 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.52 106.89 17.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.44 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.7 mt -57.09 -49.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.975 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.35 -46.06 93.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.573 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.85 86.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.641 0.258 . . . . 10.0 110.962 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.01 90.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.092 0.472 . . . . 10.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.55 -34.59 78.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.647 . . . . 10.0 111.328 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.859 0.362 . . . . 10.0 111.845 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.8 m -65.74 -35.59 81.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.272 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.492 HG22 HG22 ' A' ' 47' ' ' ILE . 34.9 pt -103.07 -10.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 65.57 -7.22 0.35 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -78.86 87.28 4.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.953 0.406 . . . . 10.0 110.216 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 -20.22 5.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 6.0 mppt? -118.99 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.751 -0.642 . . . . 10.0 109.574 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.452 -0.659 . . . . 10.0 111.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -98.75 109.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.969 0.385 . . . . 10.0 110.498 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 57.7 Cg_endo -72.31 147.49 47.46 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.414 2.076 . . . . 10.0 112.247 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -63.77 -15.1 46.89 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.832 2.355 . . . . 10.0 112.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.39 -2.69 57.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.011 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.62 122.94 31.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.63 125.2 84.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 29.1 Cg_endo -62.17 -19.0 65.18 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.072 2.515 . . . . 10.0 113.52 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 58.6 mtm180 -93.86 -32.55 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.045 0.45 . . . . 10.0 110.128 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.5 tp -67.05 -34.33 77.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.151 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 tt -75.13 -14.65 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.28 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 13.3 mm-40 -71.33 -17.24 62.45 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.993 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 17' ' ' MET . 4.4 m -58.17 -32.86 68.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.051 0.453 . . . . 10.0 110.663 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.63 -44.98 39.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.943 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -37.58 86.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.796 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -57.24 -46.2 83.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.026 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 13' ' ' SER . 91.1 mmm -64.06 -43.08 96.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.917 0.389 . . . . 10.0 110.243 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.07 -50.31 72.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.765 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -64.3 -25.56 68.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.358 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 48.7 ttm -77.07 -16.82 59.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.374 0.607 . . . . 10.0 110.143 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.03 13.74 33.02 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.362 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 120.8 42.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.175 0.512 . . . . 10.0 109.666 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -160.94 126.19 3.73 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.263 -0.88 . . . . 10.0 108.933 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -104.36 173.61 6.23 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.802 -0.359 . . . . 10.0 110.646 -179.202 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.6 6.01 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.677 0.621 . . . . 10.0 112.677 -177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.36 -16.63 80.25 Favored Glycine 0 C--O 1.234 0.109 0 C-N-CA 120.679 -0.772 . . . . 10.0 113.319 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 24' ' ' ASP . . . 92.88 31.28 8.73 Favored Glycine 0 N--CA 1.439 -1.132 0 N-CA-C 111.379 -0.689 . . . . 10.0 111.379 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.8 p-90 -91.89 -31.91 15.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.062 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.45 -35.45 70.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 10.0 109.89 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -68.43 -17.94 64.32 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.436 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -94.11 -36.68 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.438 -0.579 . . . . 10.0 109.438 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 3.8 tp -58.14 -39.73 79.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.912 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.98 -10.09 50.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.835 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.44 -54.94 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.993 0.425 . . . . 10.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -34.23 56.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.025 -0.534 . . . . 10.0 112.387 -178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 3.6 mptp? -95.95 4.72 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.207 -0.197 . . . . 10.0 111.018 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 73.49 163.53 0.27 Allowed 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.952 0.782 . . . . 10.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.72 36.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.42 101.36 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 10.0 109.851 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.42 -42.47 80.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.892 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.47 -48.43 84.21 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.128 -0.558 . . . . 10.0 112.227 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 10.0 110.831 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.88 91.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 10.0 112.082 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 4.4 mp -59.84 -41.14 90.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.599 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.45 -21.26 58.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.345 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.4 m -63.46 -34.25 77.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.266 -0.425 . . . . 10.0 111.278 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' B' ' 47' ' ' ILE . 24.0 pt -110.72 17.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.41 0.522 . . . . 10.0 112.41 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 34.2 mm-40 70.5 -51.2 0.66 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.18 105.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.05 0.452 . . . . 10.0 111.163 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 m -130.36 -27.62 2.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.735 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -100.99 -49.91 3.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.73 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.907 -0.568 . . . . 10.0 109.595 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.679 -0.568 . . . . 10.0 111.679 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.66 111.12 18.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.766 0.317 . . . . 10.0 110.703 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 88.3 Cg_endo -89.13 163.08 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.752 2.301 . . . . 10.0 112.103 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -66.27 -2.2 6.69 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.914 2.409 . . . . 10.0 112.392 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -81.07 -14.35 57.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.966 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.78 146.38 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.342 . . . . 10.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -77.4 129.9 76.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.489 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -61.82 -22.52 74.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.24 2.626 . . . . 10.0 113.548 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -89.86 -35.33 15.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 10.0 110.181 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.04 -39.34 93.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 tt -77.02 -7.89 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.152 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.41 -16.47 45.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.777 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -61.55 -27.93 68.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.907 0.384 . . . . 10.0 110.686 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.02 -49.4 24.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.382 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -33.8 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -60.44 -45.84 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.726 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.3 mmm -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 10.0 110.325 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.43 -45.91 85.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.439 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 t -65.08 -26.65 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 33.0 ttm -71.48 -21.53 61.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.39 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.75 10.6 26.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.88 123.15 47.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 10.0 110.178 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -149.76 141.73 23.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.739 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -102.88 148.8 25.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.465 0.65 . . . . 10.0 111.411 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 -40.81 4.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.889 -1.05 . . . . 10.0 109.782 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.6 -4.34 89.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.948 -0.644 . . . . 10.0 112.369 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' B' ' 31' ' ' ARG . . . 79.44 36.95 25.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.504 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 51.8 p-90 -95.75 -25.05 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.672 0.272 . . . . 10.0 111.587 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 tp -84.21 -37.59 21.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.054 0.454 . . . . 10.0 110.196 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -65.73 -26.84 67.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.424 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 27' ' ' GLY . 5.4 mtm180 -90.09 -16.89 28.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.316 0.579 . . . . 10.0 109.618 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.21 -40.16 74.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.993 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.89 -13.55 62.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.757 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 -90.76 -24.24 20.42 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.765 -0.374 . . . . 10.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.7 p -100.77 -40.98 7.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.27 0.47 . . . . 10.0 112.27 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -101.11 19.61 17.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.571 0.224 . . . . 10.0 111.097 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.64 179.74 0.23 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.463 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -96.16 30.34 2.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -86.67 111.06 20.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.068 0.461 . . . . 10.0 110.755 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.44 -43.15 93.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.488 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.19 -55.76 27.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.218 -0.515 . . . . 10.0 112.701 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.747 0.277 . . . . 10.0 111.747 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.38 90.98 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.3 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.064 0.459 . . . . 10.0 111.08 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.51 -24.22 60.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.279 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -60.49 -33.27 72.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 10.0 112.01 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 47' ' ' ILE . 21.9 pt -104.61 1.09 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.94 19.48 10.74 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.292 0.478 . . . . 10.0 112.292 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.48 24.7 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.388 0.613 . . . . 10.0 109.629 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -27.28 67.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.477 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -82.1 -49.39 10.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.131 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.195 -0.907 . . . . 10.0 110.625 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.966 -0.454 . . . . 10.0 111.966 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.34 109.93 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.619 0.209 . . . . 10.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 1' ' ' GLY . 93.9 Cg_endo -88.65 157.14 6.31 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.843 2.362 . . . . 10.0 112.415 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.47 -15.53 41.71 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.946 2.431 . . . . 10.0 112.236 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -74.04 -18.61 60.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.987 -0.552 . . . . 10.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.05 143.34 34.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.715 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.9 122.19 86.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.628 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.02 -20.65 72.05 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.814 2.343 . . . . 10.0 112.846 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -89.65 -31.73 17.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.922 0.391 . . . . 10.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.0 tp -67.76 -39.43 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.639 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.7 tt -71.55 -21.27 21.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.003 0.43 . . . . 10.0 110.423 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.72 -13.74 61.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.37 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -66.46 -33.96 76.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.047 0.451 . . . . 10.0 110.596 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.71 -44.34 56.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -29.57 69.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.325 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -59.2 -48.21 82.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.449 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.4 mmm -64.56 -42.43 95.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.199 0.523 . . . . 10.0 110.05 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.94 -40.46 93.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.845 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.3 m -74.46 -26.97 60.37 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.0 ttm -75.56 -14.01 60.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.468 0.652 . . . . 10.0 110.085 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.98 39.49 4.87 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.974 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -137.12 123.23 20.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -147.79 170.86 16.7 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.095 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -114.92 159.36 20.8 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.335 0.588 . . . . 10.0 110.545 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.64 -46.93 3.44 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.642 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -89.86 2.91 82.66 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.879 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 42.86 25.49 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.03 -0.605 . . . . 10.0 112.598 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 69.4 p-90 -95.86 -28.41 14.73 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.639 -0.33 . . . . 10.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -72.8 -36.64 67.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.021 0.439 . . . . 10.0 110.11 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 t -62.87 -23.87 67.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.373 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -90.4 -30.35 17.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.83 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.79 -43.66 98.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.663 -0.698 . . . . 10.0 110.796 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.55 -7.45 20.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.77 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -92.86 -40.74 10.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.549 -0.296 . . . . 10.0 111.288 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.0 p -98.39 -4.6 34.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.992 0.425 . . . . 10.0 111.96 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.91 6.06 9.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 69.53 169.32 0.3 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.145 -0.934 . . . . 10.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -85.89 41.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.016 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.23 112.33 24.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.185 0.517 . . . . 10.0 110.72 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.63 -49.2 85.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.623 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.43 -47.65 81.69 Favored Glycine 0 C--N 1.329 0.19 0 CA-C-N 116.006 -0.543 . . . . 10.0 112.954 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.68 92.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.7 0.286 . . . . 10.0 111.518 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.04 83.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.803 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.75 -36.13 82.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.416 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.14 -24.46 54.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.176 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 m -66.23 -31.42 72.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.527 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 42.9 pt -104.37 4.29 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.903 -0.319 . . . . 10.0 111.636 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.562 ' HG2' ' CE2' ' B' ' 49' ' ' TYR . 16.1 mm-40 71.95 -43.37 0.56 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.266 0.626 . . . . 10.0 112.454 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -69.09 90.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 10.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -116.58 -14.88 10.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.51 -0.314 . . . . 10.0 111.384 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -101.68 -50.75 3.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 10.0 110.488 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.619 -0.705 . . . . 10.0 109.771 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.91 106.43 40.9 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.799 0.333 . . . . 10.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.5 156.51 21.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.572 2.181 . . . . 10.0 111.503 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.42 -0.17 5.49 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.797 2.332 . . . . 10.0 112.767 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -80.05 -20.18 45.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.175 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 141.02 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.187 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.21 122.21 80.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.476 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.428 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 29.8 Cg_endo -63.66 -17.27 59.24 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.92 2.413 . . . . 10.0 113.892 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 66.9 mtm180 -92.8 -30.76 15.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.779 0.323 . . . . 10.0 110.313 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 tp -66.67 -38.31 86.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.954 -0.567 . . . . 10.0 110.049 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 tt -72.31 -16.91 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.615 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 9' ' ' ARG . 60.0 mm-40 -73.07 -25.22 60.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.495 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -61.97 -33.02 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.811 0.339 . . . . 10.0 111.222 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.27 -42.78 62.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.87 -28.05 64.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.957 0.408 . . . . 10.0 110.376 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -63.82 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.5 mmm -62.36 -42.24 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.45 -40.55 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.438 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -32.59 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.16 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 34.9 ttm -69.11 -29.09 67.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.373 0.606 . . . . 10.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.79 25.96 4.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.408 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -118.89 121.71 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -172.92 126.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.9 178.79 4.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.683 0.278 . . . . 10.0 111.11 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -44.67 4.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.727 -178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.51 63.99 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 121.333 -0.46 . . . . 10.0 113.043 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' B' ' 31' ' ' ARG . . . 98.36 21.69 16.63 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 111.172 -0.771 . . . . 10.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.584 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 8.2 p-90 -74.83 -30.75 61.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.953 -0.299 . . . . 10.0 110.555 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.57 -40.73 73.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 10.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 27' ' ' GLY . 1.3 t -69.61 -18.99 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 10.0 110.843 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 27' ' ' GLY . 28.2 mmm180 -88.0 -37.93 15.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.603 -0.517 . . . . 10.0 109.603 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.09 -36.49 81.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.97 -8.58 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.677 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -95.24 -47.7 6.22 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.986 -0.285 . . . . 10.0 111.118 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 7.6 p -79.81 -31.25 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 10.0 111.808 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -100.37 6.19 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.851 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 69.28 -177.92 0.22 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.518 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.62 34.28 1.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.304 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.79 103.51 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.188 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.33 -45.88 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.62 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.23 -44.57 96.37 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.163 -0.541 . . . . 10.0 112.93 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.85 72.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.745 0.307 . . . . 10.0 111.551 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.97 78.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.69 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.59 -41.59 99.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.383 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -83.01 -7.24 59.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.641 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -65.63 -38.42 89.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.753 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 pt -115.77 17.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.798 -0.361 . . . . 10.0 111.933 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 73.49 -42.16 0.51 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.171 0.588 . . . . 10.0 112.025 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 93.5 m-85 -57.32 97.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 10.0 111.266 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.59 -39.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.12 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -84.6 -59.24 2.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.668 -0.682 . . . . 10.0 110.653 -179.498 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.85 -0.5 . . . . 10.0 111.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.01 119.58 54.98 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.542 0.171 . . . . 10.0 110.621 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.13 144.98 27.26 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.072 1.848 . . . . 10.0 111.631 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.16 -20.32 23.9 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.324 2.682 . . . . 10.0 113.178 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.87 -23.51 60.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.801 0.334 . . . . 10.0 111.017 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 137.17 43.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.809 -0.441 . . . . 10.0 109.809 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.07 120.2 67.65 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.679 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 37.4 Cg_endo -66.21 -17.37 54.41 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.894 2.396 . . . . 10.0 112.73 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -92.87 -38.42 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.994 0.426 . . . . 10.0 110.182 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.0 -36.54 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.564 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -69.32 -16.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 10.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 6.4 mm-40 -78.21 -13.19 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.281 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -62.37 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.46 -46.19 41.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.182 -0.673 . . . . 10.0 109.182 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.396 -0.82 . . . . 10.0 110.932 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -59.25 -40.51 86.21 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.8 mmm -64.64 -42.71 95.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.368 0.604 . . . . 10.0 109.689 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.11 -44.41 96.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.37 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 m -65.03 -28.1 69.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.803 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.9 mtm -79.17 -6.01 55.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.674 0.274 . . . . 10.0 111.109 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.12 15.97 36.91 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -103.19 122.45 44.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.256 0.55 . . . . 10.0 110.429 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -155.76 144.9 20.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.67 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 29' ' ' LEU . 7.8 p30 -95.05 153.2 17.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.309 0.576 . . . . 10.0 111.478 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -100.05 -44.22 6.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.544 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.01 61.4 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.507 -0.77 . . . . 10.0 111.914 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.84 45.42 8.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.978 -0.63 . . . . 10.0 112.308 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 31.4 p-90 -95.45 -30.53 13.83 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.841 -0.211 . . . . 10.0 111.36 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 22.5 tp -71.99 -38.48 69.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.593 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -63.47 -19.22 64.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.603 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -93.05 -33.53 14.06 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.19 0.519 . . . . 10.0 109.908 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -62.0 -38.06 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.725 -0.671 . . . . 10.0 111.049 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.47 -16.33 63.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -94.33 -17.96 22.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.798 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.92 -40.0 7.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 10.0 112.119 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -109.27 16.71 22.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.646 0.26 . . . . 10.0 111.129 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 68.69 175.26 0.28 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.55 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -86.56 26.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.674 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.57 110.13 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.039 0.447 . . . . 10.0 110.444 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.94 -42.18 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.532 -0.758 . . . . 10.0 111.127 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.94 73.07 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.619 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.45 84.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.662 0.268 . . . . 10.0 111.237 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.83 95.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.417 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 50' ' ' SER . 8.1 tp -71.18 -28.86 64.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.071 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -81.59 -20.18 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -56.84 -35.96 69.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 10.0 112.073 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.583 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -111.21 12.77 8.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -178.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.4 mm-40 69.49 -30.31 0.19 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -70.79 74.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.126 0.489 . . . . 10.0 111.066 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.48 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 3.6 m -104.13 -2.81 25.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.741 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -122.2 -62.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.133 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.683 -0.675 . . . . 10.0 109.558 179.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.509 -0.637 . . . . 10.0 111.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.8 98.16 23.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.61 151.04 25.01 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.446 2.097 . . . . 10.0 112.361 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.76 -5.88 15.46 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.824 2.349 . . . . 10.0 112.195 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -75.27 -22.55 57.72 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.888 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.94 151.79 22.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.148 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -81.36 131.27 59.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.482 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 36.6 Cg_endo -64.75 -20.19 64.82 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.179 2.586 . . . . 10.0 113.176 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -93.68 -37.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.025 -0.361 . . . . 10.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -65.35 -42.0 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.71 -17.04 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 10.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 10.6 mm-40 -73.28 -12.5 60.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' B' ' 17' ' ' MET . 14.4 m -55.46 -32.16 62.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 10.0 110.625 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.11 -41.1 67.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.59 70.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -60.52 -44.5 95.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.672 -0.695 . . . . 10.0 110.501 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 13' ' ' SER . 92.9 mmm -64.43 -38.1 89.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.341 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.88 -46.02 86.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.44 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 16.2 t -70.4 -19.16 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ttm -81.93 -12.03 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.173 0.511 . . . . 10.0 110.472 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 11.9 40.52 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.64 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.15 124.29 42.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.726 0.298 . . . . 10.0 110.299 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -150.56 148.81 29.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.156 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -110.96 137.74 48.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.046 0.451 . . . . 10.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 -22.89 25.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.695 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.64 21.95 7.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.493 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.31 42.86 99.89 Favored Glycine 0 C--O 1.23 -0.126 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 45.1 p-90 -96.04 -26.78 15.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.74 0.305 . . . . 10.0 111.164 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 16.6 tp -74.42 -38.32 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.22 68.16 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.405 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -83.61 -35.84 24.34 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.827 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tp -61.08 -35.91 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.39 -8.26 54.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -94.84 -46.16 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.954 0.407 . . . . 10.0 110.084 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 25' ' ' GLU . 2.3 p -77.91 -40.68 39.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 10.0 112.006 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -101.56 9.76 40.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.612 0.244 . . . . 10.0 111.019 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 69.45 178.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.645 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -92.27 35.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.35 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.87 106.53 17.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -56.61 -46.43 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.852 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.13 53.54 Favored Glycine 0 N--CA 1.454 -0.106 0 C-N-CA 121.126 -0.559 . . . . 10.0 112.675 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.66 95.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.986 0.422 . . . . 10.0 110.884 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.78 89.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.95 -42.23 94.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.164 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.14 -28.4 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -59.48 -38.12 80.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.492 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.3 pt -101.19 4.19 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 10.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? 71.34 -51.25 0.69 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.892 0.877 . . . . 10.0 112.171 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.673 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 87.8 m-85 -54.21 100.02 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.987 0.423 . . . . 10.0 111.453 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -116.1 -35.27 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.567 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -94.34 -69.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.306 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.554 -0.736 . . . . 10.0 110.049 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 N-CA-C 111.487 -0.645 . . . . 10.0 111.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -85.63 112.82 47.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.626 0.213 . . . . 10.0 110.918 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.75 161.54 41.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.714 2.276 . . . . 10.0 112.158 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.43 -4.9 10.29 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.095 2.53 . . . . 10.0 112.801 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -80.07 -21.43 43.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.581 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.29 133.7 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.418 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.4 125.9 92.14 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.007 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.44 -22.37 74.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 114.04 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -93.36 -40.58 10.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.687 0.28 . . . . 10.0 110.861 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.73 -41.67 95.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.363 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.3 tt -70.74 -23.71 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.052 0.453 . . . . 10.0 111.443 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.08 -12.04 61.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.669 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -56.19 -33.93 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 10.0 110.52 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.71 -44.9 63.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -37.44 87.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.498 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -62.53 -44.31 96.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.274 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.6 mmm -63.56 -41.8 98.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.0 tp -61.45 -40.03 93.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.268 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -74.39 -17.41 60.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.047 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 44' ' ' LEU . 49.9 ttm -84.96 -8.6 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.048 0.452 . . . . 10.0 110.172 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.26 11.59 36.0 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.652 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -97.12 124.5 41.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 m -146.99 143.33 28.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.062 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' OD1' ' HA2' ' A' ' 27' ' ' GLY . 3.9 p30 -101.73 158.23 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.36 0.6 . . . . 10.0 111.646 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -47.0 2.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.023 -0.99 . . . . 10.0 108.997 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.53 5.89 77.43 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.864 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA2' ' OD1' ' A' ' 24' ' ' ASP . . . 77.42 40.78 22.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.536 -0.364 . . . . 10.0 112.975 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p-90 -95.99 -24.05 16.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.767 0.654 . . . . 10.0 112.767 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 22' ' ' PHE . 57.3 tp -62.39 -41.9 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 10.0 110.612 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -69.52 -12.71 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -94.15 -39.09 10.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 tp -59.59 -38.48 81.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.692 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.14 -9.39 58.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.033 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -96.2 -46.08 6.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.891 0.377 . . . . 10.0 110.395 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -76.21 -36.98 58.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.232 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -110.8 17.48 20.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.685 0.279 . . . . 10.0 111.749 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.5 t30 69.03 171.83 0.3 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.675 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.73 33.28 0.47 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.57 105.43 13.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.896 0.379 . . . . 10.0 110.411 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.8 -45.54 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.278 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.56 -41.47 98.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.329 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.666 0.27 . . . . 10.0 110.885 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.59 96.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD11 ' SD ' ' A' ' 20' ' ' MET . 6.5 mp -64.06 -41.93 97.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.61 -21.35 61.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.541 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -59.6 -37.72 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.448 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' B' ' 47' ' ' ILE . 40.8 pt -111.72 7.22 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.944 -0.303 . . . . 10.0 111.314 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 50.4 mm-40 71.94 -39.02 0.44 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.695 0.798 . . . . 10.0 113.004 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -57.15 97.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.224 0.535 . . . . 10.0 111.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -34.45 6.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.852 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -121.53 -64.92 1.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.069 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.13 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.57 -0.612 . . . . 10.0 111.57 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.76 105.31 20.23 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.294 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' B' ' 1' ' ' GLY . 86.0 Cg_endo -86.93 148.75 8.24 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.576 2.184 . . . . 10.0 112.385 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 24.0 Cg_exo -65.12 -4.95 9.99 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.699 2.266 . . . . 10.0 112.128 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.12 -17.6 56.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.201 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.57 136.71 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.262 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.97 131.0 91.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.575 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 22.7 Cg_endo -60.71 -21.84 71.03 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.969 2.446 . . . . 10.0 113.054 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 9' ' ' ARG . 3.9 mtm180 -93.33 -28.07 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.746 0.308 . . . . 10.0 110.412 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 59.0 tp -69.29 -40.09 77.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 10.0 110.528 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.03 -19.63 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 10.0 111.204 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 4.5 mm-40 -71.63 -12.9 61.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.646 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 8.2 m -56.74 -36.4 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 10.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mp -70.76 -46.5 62.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.904 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -38.84 90.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.236 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.68 -46.11 91.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.642 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -64.83 -39.76 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -47.11 87.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.44 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -68.82 -21.47 64.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.078 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 39.9 ttm -79.49 -6.34 56.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 10.0 110.013 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.26 12.61 54.29 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.508 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -96.43 122.78 39.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.162 0.506 . . . . 10.0 110.683 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.4 m -153.87 131.6 11.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.116 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -87.42 156.3 19.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.094 0.473 . . . . 10.0 111.606 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -28.61 13.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.18 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.01 12.8 17.16 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.875 -0.679 . . . . 10.0 112.872 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.45 38.99 57.73 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.928 -0.653 . . . . 10.0 113.218 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -96.64 -19.52 18.95 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 tp -70.57 -36.54 73.66 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -69.04 -14.59 63.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.145 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.45 -35.94 13.37 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.456 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -37.72 79.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.792 . . . . 10.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.91 -9.19 54.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.346 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -94.05 -39.41 10.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.881 0.372 . . . . 10.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -89.41 -39.22 13.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.439 . . . . 10.0 112.091 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 11.23 39.51 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.134 -0.226 . . . . 10.0 110.927 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 66.8 t30 69.73 170.37 0.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.852 0.72 . . . . 10.0 111.231 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -84.9 34.78 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -90.27 110.51 21.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.064 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.5 -42.44 87.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.224 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.14 -49.39 79.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.934 -0.65 . . . . 10.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.38 95.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.803 0.335 . . . . 10.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.81 88.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.395 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.54 -39.62 94.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 10.0 111.227 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.04 -6.44 52.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.733 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.0 m -70.02 -34.38 73.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.483 HG22 HG22 ' A' ' 47' ' ' ILE . 45.4 pt -114.01 15.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 71.07 -37.52 0.4 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.916 0.71 . . . . 10.0 112.916 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 98.6 m-85 -63.6 88.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 10.0 110.791 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -115.07 -51.1 2.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.462 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -74.06 -39.51 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.082 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.606 -0.711 . . . . 10.0 109.944 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.672 -0.571 . . . . 10.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 4.3 m -91.83 109.12 34.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.607 0.203 . . . . 10.0 110.649 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 2' ' ' SER . 6.0 Cg_exo -77.72 163.28 29.21 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.0 2.466 . . . . 10.0 111.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.62 -17.52 60.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.716 2.277 . . . . 10.0 112.0 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.51 -17.17 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.97 127.88 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.254 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 11.2 t70 -63.21 120.81 65.02 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.68 -17.92 61.02 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.912 2.408 . . . . 10.0 113.119 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -93.28 -40.16 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 30.7 tp -68.88 -37.3 78.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.236 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 tt -67.47 -22.17 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.085 0.469 . . . . 10.0 110.999 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -74.12 -13.11 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.717 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.3 m -60.11 -35.64 75.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 10.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.78 -48.91 62.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.019 0.437 . . . . 10.0 110.25 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -33.43 76.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -58.95 -46.42 88.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.159 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.13 -42.1 99.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 10.0 109.783 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.415 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -68.48 -26.52 65.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mmm -78.86 -2.94 42.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.815 0.341 . . . . 10.0 111.089 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.97 57.69 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.089 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -99.72 124.71 45.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.029 0.442 . . . . 10.0 110.088 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 m -147.41 160.25 42.78 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.428 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -117.64 147.97 42.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.474 0.654 . . . . 10.0 111.141 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 -44.74 5.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.13 -0.941 . . . . 10.0 109.251 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.09 -4.9 68.4 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.121 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.87 39.7 9.28 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.877 -0.677 . . . . 10.0 112.728 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 29.1 p-90 -96.29 -15.02 22.18 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.941 -0.304 . . . . 10.0 111.779 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.19 -43.37 74.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.916 0.388 . . . . 10.0 109.969 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -65.73 -25.41 67.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.499 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -82.64 -33.26 27.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.944 0.402 . . . . 10.0 109.922 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.88 -40.42 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.395 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.24 -13.22 62.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.559 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -94.17 -30.69 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.884 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 -44.51 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HE3' ' HB1' ' A' ' 42' ' ' ALA . 33.2 tttp -99.27 13.37 33.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.95 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 69.98 173.14 0.3 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.72 34.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.017 0.437 . . . . 10.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.94 104.28 15.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.67 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -57.74 -46.04 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.353 -0.84 . . . . 10.0 111.398 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.4 94.02 Favored Glycine 0 C--O 1.237 0.312 0 C-N-CA 121.106 -0.569 . . . . 10.0 112.95 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' HE3' ' A' ' 36' ' ' LYS . . . -72.14 -44.2 63.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.901 0.381 . . . . 10.0 110.995 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.02 93.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.086 0.47 . . . . 10.0 111.945 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -80.9 -9.7 59.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.338 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.9 m -65.43 -33.98 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.433 0.531 . . . . 10.0 112.433 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 pt -111.03 17.64 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.743 0.645 . . . . 10.0 112.743 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' CZ ' ' B' ' 49' ' ' TYR . 1.5 mm-40 68.54 -41.6 0.46 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.553 0.946 . . . . 10.0 113.553 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 75.6 m-85 -64.87 84.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.076 0.465 . . . . 10.0 112.015 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.66 -15.16 13.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.424 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -110.87 -73.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.25 1.098 0 N-CA-C 109.051 -0.722 . . . . 10.0 109.051 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.4 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.977 -0.449 . . . . 10.0 111.977 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -101.39 104.45 33.71 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 10.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 95.5 Cg_endo -86.16 157.21 9.78 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.545 2.163 . . . . 10.0 112.526 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 23.1 Cg_exo -65.2 -12.29 34.1 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.784 2.322 . . . . 10.0 111.922 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -79.94 -15.16 57.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.858 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.72 140.66 31.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.693 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' B' ' 10' ' ' LEU . 10.3 t0 -65.75 122.0 78.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.489 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.577 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 37.7 Cg_endo -65.09 -21.62 62.81 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.069 2.513 . . . . 10.0 113.602 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -93.99 -40.89 9.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.779 0.324 . . . . 10.0 110.584 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 7' ' ' ASP . 20.1 tp -63.16 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -70.34 -16.49 20.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.057 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 48.2 mm-40 -77.26 -12.54 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.855 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -53.98 -34.0 58.56 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.68 0.276 . . . . 10.0 111.328 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.0 -45.27 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.743 0.306 . . . . 10.0 110.686 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -37.19 85.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.555 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -58.82 -44.0 90.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.9 mmm -68.61 -40.43 80.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -63.31 -42.36 99.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.151 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -22.25 62.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.125 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 42.0 ttm -75.72 -13.01 60.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.255 0.55 . . . . 10.0 110.361 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.6 20.38 15.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.099 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -106.44 125.8 51.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -142.9 137.57 29.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.85 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -119.95 146.9 45.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.017 -178.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.01 16.34 10.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.89 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 4.51 9.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.05 27.7 72.64 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 111.445 -0.662 . . . . 10.0 111.445 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.478 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 30.4 p-90 -96.88 -19.25 18.98 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 39.5 tp -69.61 -43.13 73.39 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 10.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' B' ' 34' ' ' GLN . 7.6 t -63.79 -21.73 66.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.628 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -93.3 -27.51 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.262 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -63.96 -40.64 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.728 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.68 -9.29 58.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.942 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 30' ' ' THR . 35.1 mm-40 -95.35 -38.95 10.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.954 0.407 . . . . 10.0 110.401 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.9 p -78.6 -44.36 24.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.597 . . . . 10.0 111.858 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -105.23 15.48 27.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.905 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 64.55 -175.76 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.306 -0.861 . . . . 10.0 111.375 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.76 35.07 0.67 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.077 0.465 . . . . 10.0 110.858 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.01 95.61 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.56 -41.16 72.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 10.0 111.566 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.19 -47.65 89.77 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.955 -0.64 . . . . 10.0 112.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.95 93.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.703 0.287 . . . . 10.0 111.215 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.71 93.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.402 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.24 -38.32 90.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.078 0.466 . . . . 10.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.9 -29.75 67.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -56.53 -41.83 77.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.876 -0.602 . . . . 10.0 112.174 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 pt -103.64 1.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 13.5 mm-40 70.85 -42.82 0.54 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.575 0.75 . . . . 10.0 112.798 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . 0.641 ' CZ ' ' HG2' ' A' ' 48' ' ' GLN . 60.0 m-85 -61.27 93.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.863 0.363 . . . . 10.0 111.266 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 -15.02 4.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.421 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -131.85 11.68 4.75 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.578 0.228 . . . . 10.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.696 -0.668 . . . . 10.0 109.383 179.659 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.409 ' O ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.653 -0.579 . . . . 10.0 111.653 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -89.81 109.33 31.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 87.8 Cg_endo -82.52 159.13 16.89 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.381 2.054 . . . . 10.0 112.226 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 27.5 Cg_exo -63.29 -12.98 33.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.781 2.321 . . . . 10.0 111.75 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.62 -22.04 54.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.706 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.73 137.47 38.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.41 126.5 86.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.365 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 36.0 Cg_endo -64.33 -19.03 65.2 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.863 2.375 . . . . 10.0 112.87 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 -92.27 -28.12 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.776 0.322 . . . . 10.0 111.259 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.4 -28.16 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 10.0 110.68 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -77.89 -23.34 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.299 0.571 . . . . 10.0 110.476 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 8' ' ' PRO . 35.4 mm-40 -78.76 -13.31 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.652 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -60.4 -30.23 69.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.156 0.503 . . . . 10.0 109.865 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.57 -48.01 51.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.671 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -32.28 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.56 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.5 -44.2 89.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.526 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mmm -65.33 -39.78 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.124 0.488 . . . . 10.0 109.959 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.91 -43.58 95.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.357 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.5 t -67.66 -31.71 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.192 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -67.64 -29.81 69.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.331 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.52 19.81 6.44 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -110.6 123.37 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.059 0.457 . . . . 10.0 110.304 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -152.65 153.66 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.379 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -106.16 156.97 17.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.016 0.436 . . . . 10.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' B' ' 35' ' ' THR . 0.0 OUTLIER -110.41 -28.26 8.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.728 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 6.96 48.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.24 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.01 37.68 56.16 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.315 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 67.5 p-90 -96.58 -34.73 11.32 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.45 -39.37 85.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 10.0 110.067 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.3 t -63.1 -14.42 48.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.103 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -94.51 -40.54 9.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.66 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.66 -32.18 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.31 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -11.34 60.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.255 0.55 . . . . 10.0 110.925 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.42 -40.28 9.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.17 0.509 . . . . 10.0 110.334 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 p -79.12 -33.98 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.186 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -111.6 18.82 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.919 0.34 . . . . 10.0 111.919 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 67.73 -177.29 0.21 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.649 0.593 . . . . 10.0 111.773 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -92.76 25.21 3.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.835 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.18 101.57 8.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -54.43 -40.35 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.461 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.17 -52.11 54.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.958 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.95 98.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.693 0.283 . . . . 10.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.03 83.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.71 -32.85 74.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.55 -35.28 73.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.27 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 m -58.86 -31.3 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.613 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' B' ' 47' ' ' ILE . 1.6 pp -101.31 0.65 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.669 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 68.92 -53.13 0.57 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.812 1.041 . . . . 10.0 113.812 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.655 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 74.2 m-85 -55.65 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.243 0.544 . . . . 10.0 112.142 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.1 -45.91 3.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.14 -57.19 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.356 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.714 -0.66 . . . . 10.0 110.554 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.837 -0.505 . . . . 10.0 111.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -102.1 102.09 22.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.7 0.286 . . . . 10.0 110.358 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 89.0 Cg_endo -78.91 151.09 24.06 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.391 2.061 . . . . 10.0 112.385 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 27.8 Cg_exo -64.61 -10.2 23.62 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.928 2.419 . . . . 10.0 112.161 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -76.27 -25.33 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.117 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.14 33.02 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.577 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.13 128.38 85.16 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.78 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 25.5 Cg_endo -60.51 -22.35 71.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.158 2.572 . . . . 10.0 113.348 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -93.2 -27.65 16.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.857 0.36 . . . . 10.0 110.244 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.5 tp -69.96 -37.34 75.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 tt -75.37 -20.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.184 0.516 . . . . 10.0 110.17 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 8' ' ' PRO . 23.3 mm-40 -77.06 -13.96 59.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.213 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -63.22 -29.97 71.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.277 0.561 . . . . 10.0 109.82 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.42 -42.99 52.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.95 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -28.87 68.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.643 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -61.07 -37.2 81.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.561 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.3 mmm -67.57 -46.09 73.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.02 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.237 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -27.74 68.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 46.3 ttm -82.27 -14.7 55.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.015 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.05 10.83 41.46 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.033 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -100.93 122.8 44.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.41 0.624 . . . . 10.0 110.97 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -154.87 156.79 36.8 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.404 -0.816 . . . . 10.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -99.58 169.38 9.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 10.0 111.523 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -48.8 2.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.176 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.47 7.7 68.75 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.536 -0.756 . . . . 10.0 111.594 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.08 44.98 16.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.487 -0.387 . . . . 10.0 113.05 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.471 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 39.6 p-90 -95.67 -27.34 15.34 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.815 0.308 . . . . 10.0 111.541 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -75.77 -39.31 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.007 0.432 . . . . 10.0 110.315 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -61.41 -27.77 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.287 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -83.37 -38.15 22.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.371 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.17 -44.44 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.704 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -16.0 63.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -93.76 -20.63 19.93 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.717 0.294 . . . . 10.0 110.424 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 25' ' ' GLU . 1.2 m -100.07 -31.59 11.35 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.862 0.363 . . . . 10.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -106.24 12.85 29.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 70.84 175.03 0.3 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.634 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -86.72 27.78 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.126 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.98 115.72 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.458 . . . . 10.0 110.679 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -65.51 -36.56 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.32 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.24 -54.61 36.44 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.149 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.52 -40.69 87.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.995 0.426 . . . . 10.0 110.602 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.96 -51.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 10.0 112.153 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.15 -40.75 96.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.247 0.546 . . . . 10.0 111.689 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -67.9 -17.45 64.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.21 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.3 m -63.95 -37.19 86.5 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.923 1.082 . . . . 10.0 113.923 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.563 HG22 HG22 ' A' ' 47' ' ' ILE . 41.6 pt -125.27 26.41 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.306 1.224 . . . . 10.0 114.306 -176.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.655 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 mm-40 71.33 -53.88 0.68 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.245 0.618 . . . . 10.0 112.511 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -47.67 110.57 0.33 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.35 0.595 . . . . 10.0 112.05 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.0 p -144.15 -69.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.354 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -77.48 -40.14 44.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.157 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 108.312 -0.995 . . . . 10.0 108.312 179.47 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.87 0 N-CA-C 112.107 -0.397 . . . . 10.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -112.28 96.43 35.23 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.31 151.5 26.38 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.412 2.075 . . . . 10.0 112.63 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.87 -6.09 18.38 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.379 2.053 . . . . 10.0 111.177 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -84.71 -0.77 54.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.053 -0.976 . . . . 10.0 109.88 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.29 137.04 46.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.357 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.86 128.96 87.32 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.038 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.47 -25.27 75.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.175 2.584 . . . . 10.0 112.698 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 60.8 mtm180 -86.58 -28.36 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.084 0.469 . . . . 10.0 110.271 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.5 tp -68.81 -35.84 77.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.726 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.4 tt -78.34 -14.53 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.484 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 4.0 mm-40 -69.1 -18.68 64.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.026 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -59.98 -29.12 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.1 -43.85 18.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.162 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -36.05 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.673 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -61.03 -41.73 97.13 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.12 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 mmt -64.99 -45.41 85.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.035 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.67 -43.05 98.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -74.53 -20.47 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.291 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.57 -10.62 59.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 10.0 110.059 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.38 11.42 59.64 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.78 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -102.68 121.66 42.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.842 0.83 . . . . 10.0 110.584 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -157.28 140.02 15.02 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.899 -1.046 . . . . 10.0 108.566 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -107.98 165.99 11.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' OE2' ' HB ' ' B' ' 35' ' ' THR . 0.0 OUTLIER -116.76 4.19 13.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.558 0.947 . . . . 10.0 113.558 -177.394 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -117.94 -5.73 13.29 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 119.747 -1.216 . . . . 10.0 112.394 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 83.82 28.61 34.41 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 110.675 -0.97 . . . . 10.0 110.675 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' B' ' 28' ' ' TRP . 56.9 p-90 -96.93 -29.61 13.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 48.2 tp -72.96 -37.31 67.15 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.749 -0.463 . . . . 10.0 109.749 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 t -66.56 -20.26 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.428 0.632 . . . . 10.0 110.112 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -91.16 -31.1 16.33 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.897 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.46 -30.15 70.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.112 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.69 -11.14 60.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.267 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -94.88 -34.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.82 -49.71 12.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -91.21 5.94 47.11 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.391 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 69.85 173.61 0.3 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -82.6 46.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.283 0.564 . . . . 10.0 110.671 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -98.5 102.03 13.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.387 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.32 -41.18 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 10.0 111.532 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.34 -50.7 60.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.902 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.23 99.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.913 -0.169 . . . . 10.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.49 79.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.708 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.92 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 10.0 111.471 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -76.92 -8.0 56.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.563 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.5 m -81.79 -24.97 35.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.841 0.312 . . . . 10.0 111.841 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 pt -115.34 18.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.723 -0.391 . . . . 10.0 111.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 71.3 -50.17 0.69 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.302 0.641 . . . . 10.0 112.352 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 48' ' ' GLN . 84.2 m-85 -62.23 100.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.937 0.399 . . . . 10.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -112.22 -40.64 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.103 0.478 . . . . 10.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -102.15 -70.47 0.75 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.368 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.815 -0.612 . . . . 10.0 109.657 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.806 -0.518 . . . . 10.0 111.806 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -93.89 108.13 32.75 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.63 0.252 . . . . 10.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . 75.2 Cg_endo -90.39 142.44 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.916 2.41 . . . . 10.0 112.597 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' B' ' 3' ' ' PRO . 15.7 Cg_exo -70.3 -4.2 13.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.483 2.122 . . . . 10.0 111.949 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.93 -27.29 54.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.12 143.69 27.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.606 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.72 131.62 89.45 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.563 -0.289 . . . . 10.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -60.68 -22.8 74.25 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 10.0 112.74 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -87.99 -15.93 35.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.37 . . . . 10.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.94 -32.27 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 10.0 109.886 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 16.0 tt -89.67 -8.92 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.72 -23.47 65.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.32 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -60.66 -31.78 71.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.032 0.444 . . . . 10.0 110.314 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.29 -47.11 52.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 10.0 109.975 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.565 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -60.83 -46.42 90.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.019 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mmm -61.83 -36.64 81.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 10.0 109.887 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.49 -43.25 90.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.118 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -68.02 -22.86 64.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.819 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 82.0 mmm -81.6 -4.96 57.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.44 . . . . 10.0 110.3 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.27 28.71 43.47 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.216 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.69 122.85 46.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -141.58 158.45 43.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.766 -0.652 . . . . 10.0 109.78 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' B' ' 28' ' ' TRP . 20.5 p-10 -120.44 116.88 26.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.267 0.556 . . . . 10.0 111.268 -179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.31 -43.11 58.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.9 8.56 79.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.93 46.79 79.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.222 -0.513 . . . . 10.0 112.522 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' TRP . 53.7 p-90 -96.45 -24.82 15.93 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.647 -0.325 . . . . 10.0 111.513 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.4 -39.3 32.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.836 0.35 . . . . 10.0 110.738 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.485 HG23 ' HG2' ' B' ' 31' ' ' ARG . 9.7 t -59.14 -26.44 64.73 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.326 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.485 ' HG2' HG23 ' B' ' 30' ' ' THR . 0.5 OUTLIER -88.46 -30.8 19.14 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.33 0.586 . . . . 10.0 109.882 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.54 -42.23 98.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.253 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -70.37 -15.74 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.429 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' B' ' 30' ' ' THR . 81.9 mm-40 -92.87 -19.51 21.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.92 0.391 . . . . 10.0 110.796 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.452 ' HB ' ' OE2' ' A' ' 25' ' ' GLU . 1.3 p -98.41 -38.26 9.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.677 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -105.72 12.41 31.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.173 -0.211 . . . . 10.0 110.993 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.77 176.02 0.28 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.874 0.734 . . . . 10.0 111.376 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -85.64 45.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.253 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -100.24 109.43 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.841 0.353 . . . . 10.0 110.197 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -64.8 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.475 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.72 55.47 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.4 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.24 91.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.605 0.241 . . . . 10.0 111.19 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.45 -51.64 66.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.99 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.89 -45.06 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.478 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.43 -36.43 78.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 112.017 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.2 m -60.6 -33.83 73.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.52 . . . . 10.0 112.004 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 35.5 pt -105.1 5.51 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 7.5 mm-40 71.8 -41.34 0.5 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.459 0.704 . . . . 10.0 112.643 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -64.32 83.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.121 0.486 . . . . 10.0 111.286 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -111.44 -24.17 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.497 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -121.11 -63.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.24 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.582 -0.723 . . . . 10.0 109.647 179.933 . . . . . . . . 0 0 . 1 stop_ save_